magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide

C341H344B4Br7F9MgN64O58 — CID 165023831

IUPACmagnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide
SMILESC#CC(O)c1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)OC(C)(C)C)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)OC(C)(C)C)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)c1ccc(Br)c(C)c1)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)NC3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3.CB1OB(C)OB(C)O1.CC1Cc2c(n3ncc(C=O)c3[nH]c2=O)CN1.CC1Cc2c(n3ncc(C=O)c3[nH]c2=O)CN1C(=O)OC(C)(C)C.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2cc(Br)ncc2F)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(C=O)cn2)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2F)cc1.COc1ccc(Cn2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.COc1ccc(Cn2c(=O)c3cc(C)ncc3n3ncc(C=O)c23)cc1.Cc1cc(C(=O)O)ccc1Br.O=C(O)c1cc(Br)ncc1F.O=Cc1cn[nH]c1.[Br-].[C-]#C.[Mg+2]
InChIInChI=1S/2C29H23BrF3N5O3.C29H26BrN5O3.C26H29N5O5.C26H29N5O4.C24H27N5O5.C24H28N4O5.C21H21N5O2.C19H16N4O3.C19H18N4O3.C16H20N4O4.C15H15FN2O2.C14H12BrFN2O2.C11H12N4O2.C8H10BNO3.C8H7BrO2.C8H11NO.C6H3BrFNO2.C4H4N2O.C3H9B3O3.C2H.BrH.Mg/c2*1-4-5-19-14-35-38-24-15-36(27(40)18-8-11-23(30)22(13-18)29(31,32)33)16(2)12-21(24)28(41)37(26(19)38)20-9-6-17(7-10-20)25(39)34-3;1-5-6-21-15-32-35-25-16-33(28(37)20-9-12-24(30)17(2)13-20)18(3)14-23(25)29(38)34(27(21)35)22-10-7-19(8-11-22)26(36)31-4;1-7-21(32)19-13-28-31-20-14-29(25(35)36-26(3,4)5)15(2)12-18(20)24(34)30(23(19)31)17-10-8-16(9-11-17)22(33)27-6;1-7-8-18-14-28-31-21-15-29(25(34)35-26(3,4)5)16(2)13-20(21)24(33)30(23(18)31)19-11-9-17(10-12-19)22(32)27-6;1-14-10-18-19(12-27(14)23(33)34-24(2,3)4)29-21(16(13-30)11-26-29)28(22(18)32)17-8-6-15(7-9-17)20(31)25-5;1-15-10-19-20(13-26(15)23(31)33-24(2,3)4)28-21(17(14-29)11-25-28)27(22(19)30)12-16-6-8-18(32-5)9-7-16;1-4-5-15-11-24-26-18-12-23-13(2)10-17(18)21(28)25(20(15)26)16-8-6-14(7-9-16)19(27)22-3;1-12-7-16-17(9-20-12)23-18(14(11-24)8-21-23)22(19(16)25)10-13-3-5-15(26-2)6-4-13;1-13-7-17(18(10-20-13)23-11-15(12-24)9-22-23)19(25)21-8-14-3-5-16(26-2)6-4-14;1-9-5-11-12(7-19(9)15(23)24-16(2,3)4)20-13(18-14(11)22)10(8-21)6-17-20;1-10-7-13(14(16)9-17-10)15(19)18-8-11-3-5-12(20-2)6-4-11;1-20-10-4-2-9(3-5-10)7-18-14(19)11-6-13(15)17-8-12(11)16;1-6-2-8-9(4-12-6)15-10(14-11(8)17)7(5-16)3-13-15;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-5-4-6(8(10)11)2-3-7(5)9;1-10-8-4-2-7(6-9)3-5-8;7-5-1-3(6(10)11)4(8)2-9-5;7-3-4-1-5-6-2-4;1-4-7-5(2)9-6(3)8-4;1-2;;/h2*1,6-11,13-14,16H,5,12,15H2,2-3H3,(H,34,39);1,7-13,15,18H,6,14,16H2,2-4H3,(H,31,36);1,8-11,13,15,21,32H,12,14H2,2-6H3,(H,27,33);1,9-12,14,16H,8,13,15H2,2-6H3,(H,27,32);6-9,11,13-14H,10,12H2,1-5H3,(H,25,31);6-9,11,14-15H,10,12-13H2,1-5H3;1,6-9,11,13,23H,5,10,12H2,2-3H3,(H,22,27);3-9,11H,10H2,1-2H3;3-7,9-12H,8H2,1-2H3,(H,21,25);6,8-9H,5,7H2,1-4H3,(H,18,22);3-7,9H,8H2,1-2H3,(H,18,19);2-6,8H,7H2,1H3,(H,18,19);3,5-6,12H,2,4H2,1H3,(H,14,17);2-5,12-13H,1H3,(H,10,11);2-4H,1H3,(H,10,11);2-5H,6,9H2,1H3;1-2H,(H,10,11);1-3H,(H,5,6);1-3H3;1H;1H;/q;;;;;;;;;;;;;;;;;;;;-1;;+2/p-1/t2*16-;;;;;;;;;;;;;;;;;;;;;/m10...................../s1
InChIKeyCYYUSLOINKLSTA-RBYQGVAESA-M
MW7064.76 g/mol
LogP36.59
Rot. Bonds55

About magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide

magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide (PubChem CID 165023831) has the molecular formula C341H344B4Br7F9MgN64O58 and a molecular weight of 7064.76 g/mol. Its IUPAC name is magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide.

Molecular Properties

Compound Namemagnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide
PubChem CID165023831
Molecular FormulaC341H344B4Br7F9MgN64O58
Molecular Weight7064.76 g/mol
Exact Mass7054.03
IUPAC Namemagnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide
SMILESC#CC(O)c1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)OC(C)(C)C)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)OC(C)(C)C)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)c1ccc(Br)c(C)c1)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)NC3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3.CB1OB(C)OB(C)O1.CC1Cc2c(n3ncc(C=O)c3[nH]c2=O)CN1.CC1Cc2c(n3ncc(C=O)c3[nH]c2=O)CN1C(=O)OC(C)(C)C.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2cc(Br)ncc2F)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(C=O)cn2)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2F)cc1.COc1ccc(Cn2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.COc1ccc(Cn2c(=O)c3cc(C)ncc3n3ncc(C=O)c23)cc1.Cc1cc(C(=O)O)ccc1Br.O=C(O)c1cc(Br)ncc1F.O=Cc1cn[nH]c1.[Br-].[C-]#C.[Mg+2]
InChIInChI=1S/2C29H23BrF3N5O3.C29H26BrN5O3.C26H29N5O5.C26H29N5O4.C24H27N5O5.C24H28N4O5.C21H21N5O2.C19H16N4O3.C19H18N4O3.C16H20N4O4.C15H15FN2O2.C14H12BrFN2O2.C11H12N4O2.C8H10BNO3.C8H7BrO2.C8H11NO.C6H3BrFNO2.C4H4N2O.C3H9B3O3.C2H.BrH.Mg/c2*1-4-5-19-14-35-38-24-15-36(27(40)18-8-11-23(30)22(13-18)29(31,32)33)16(2)12-21(24)28(41)37(26(19)38)20-9-6-17(7-10-20)25(39)34-3;1-5-6-21-15-32-35-25-16-33(28(37)20-9-12-24(30)17(2)13-20)18(3)14-23(25)29(38)34(27(21)35)22-10-7-19(8-11-22)26(36)31-4;1-7-21(32)19-13-28-31-20-14-29(25(35)36-26(3,4)5)15(2)12-18(20)24(34)30(23(19)31)17-10-8-16(9-11-17)22(33)27-6;1-7-8-18-14-28-31-21-15-29(25(34)35-26(3,4)5)16(2)13-20(21)24(33)30(23(18)31)19-11-9-17(10-12-19)22(32)27-6;1-14-10-18-19(12-27(14)23(33)34-24(2,3)4)29-21(16(13-30)11-26-29)28(22(18)32)17-8-6-15(7-9-17)20(31)25-5;1-15-10-19-20(13-26(15)23(31)33-24(2,3)4)28-21(17(14-29)11-25-28)27(22(19)30)12-16-6-8-18(32-5)9-7-16;1-4-5-15-11-24-26-18-12-23-13(2)10-17(18)21(28)25(20(15)26)16-8-6-14(7-9-16)19(27)22-3;1-12-7-16-17(9-20-12)23-18(14(11-24)8-21-23)22(19(16)25)10-13-3-5-15(26-2)6-4-13;1-13-7-17(18(10-20-13)23-11-15(12-24)9-22-23)19(25)21-8-14-3-5-16(26-2)6-4-14;1-9-5-11-12(7-19(9)15(23)24-16(2,3)4)20-13(18-14(11)22)10(8-21)6-17-20;1-10-7-13(14(16)9-17-10)15(19)18-8-11-3-5-12(20-2)6-4-11;1-20-10-4-2-9(3-5-10)7-18-14(19)11-6-13(15)17-8-12(11)16;1-6-2-8-9(4-12-6)15-10(14-11(8)17)7(5-16)3-13-15;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-5-4-6(8(10)11)2-3-7(5)9;1-10-8-4-2-7(6-9)3-5-8;7-5-1-3(6(10)11)4(8)2-9-5;7-3-4-1-5-6-2-4;1-4-7-5(2)9-6(3)8-4;1-2;;/h2*1,6-11,13-14,16H,5,12,15H2,2-3H3,(H,34,39);1,7-13,15,18H,6,14,16H2,2-4H3,(H,31,36);1,8-11,13,15,21,32H,12,14H2,2-6H3,(H,27,33);1,9-12,14,16H,8,13,15H2,2-6H3,(H,27,32);6-9,11,13-14H,10,12H2,1-5H3,(H,25,31);6-9,11,14-15H,10,12-13H2,1-5H3;1,6-9,11,13,23H,5,10,12H2,2-3H3,(H,22,27);3-9,11H,10H2,1-2H3;3-7,9-12H,8H2,1-2H3,(H,21,25);6,8-9H,5,7H2,1-4H3,(H,18,22);3-7,9H,8H2,1-2H3,(H,18,19);2-6,8H,7H2,1H3,(H,18,19);3,5-6,12H,2,4H2,1H3,(H,14,17);2-5,12-13H,1H3,(H,10,11);2-4H,1H3,(H,10,11);2-5H,6,9H2,1H3;1-2H,(H,10,11);1-3H,(H,5,6);1-3H3;1H;1H;/q;;;;;;;;;;;;;;;;;;;;-1;;+2/p-1/t2*16-;;;;;;;;;;;;;;;;;;;;;/m10...................../s1
InChIKeyCYYUSLOINKLSTA-RBYQGVAESA-M
XLogP36.59
TPSA1481.63 Ų
H-Bond Donors22
H-Bond Acceptors98
Rotatable Bonds55
Heavy Atoms484
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007064.76
LogP ≤ 536.59
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1098

Analyze magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide with MolForge

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What is the IUPAC name of magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide?
The IUPAC name of magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide (CID 165023831) is magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide.
What is the SMILES notation for magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide?
The canonical SMILES for magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide is C#CC(O)c1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)OC(C)(C)C)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)OC(C)(C)C)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)N(C(=O)c1ccc(Br)c(C)c1)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)CC(C)NC3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3.C#CCc1cnn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c12)C[C@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3.CB1OB(C)OB(C)O1.CC1Cc2c(n3ncc(C=O)c3[nH]c2=O)CN1.CC1Cc2c(n3ncc(C=O)c3[nH]c2=O)CN1C(=O)OC(C)(C)C.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2cc(Br)ncc2F)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(C=O)cn2)cc1.COc1ccc(CNC(=O)c2cc(C)ncc2F)cc1.COc1ccc(Cn2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)C(C)C3)cc1.COc1ccc(Cn2c(=O)c3cc(C)ncc3n3ncc(C=O)c23)cc1.Cc1cc(C(=O)O)ccc1Br.O=C(O)c1cc(Br)ncc1F.O=Cc1cn[nH]c1.[Br-].[C-]#C.[Mg+2].
What is the InChIKey of magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide?
The InChIKey is CYYUSLOINKLSTA-RBYQGVAESA-M. The full InChI is InChI=1S/2C29H23BrF3N5O3.C29H26BrN5O3.C26H29N5O5.C26H29N5O4.C24H27N5O5.C24H28N4O5.C21H21N5O2.C19H16N4O3.C19H18N4O3.C16H20N4O4.C15H15FN2O2.C14H12BrFN2O2.C11H12N4O2.C8H10BNO3.C8H7BrO2.C8H11NO.C6H3BrFNO2.C4H4N2O.C3H9B3O3.C2H.BrH.Mg/c2*1-4-5-19-14-35-38-24-15-36(27(40)18-8-11-23(30)22(13-18)29(31,32)33)16(2)12-21(24)28(41)37(26(19)38)20-9-6-17(7-10-20)25(39)34-3;1-5-6-21-15-32-35-25-16-33(28(37)20-9-12-24(30)17(2)13-20)18(3)14-23(25)29(38)34(27(21)35)22-10-7-19(8-11-22)26(36)31-4;1-7-21(32)19-13-28-31-20-14-29(25(35)36-26(3,4)5)15(2)12-18(20)24(34)30(23(19)31)17-10-8-16(9-11-17)22(33)27-6;1-7-8-18-14-28-31-21-15-29(25(34)35-26(3,4)5)16(2)13-20(21)24(33)30(23(18)31)19-11-9-17(10-12-19)22(32)27-6;1-14-10-18-19(12-27(14)23(33)34-24(2,3)4)29-21(16(13-30)11-26-29)28(22(18)32)17-8-6-15(7-9-17)20(31)25-5;1-15-10-19-20(13-26(15)23(31)33-24(2,3)4)28-21(17(14-29)11-25-28)27(22(19)30)12-16-6-8-18(32-5)9-7-16;1-4-5-15-11-24-26-18-12-23-13(2)10-17(18)21(28)25(20(15)26)16-8-6-14(7-9-16)19(27)22-3;1-12-7-16-17(9-20-12)23-18(14(11-24)8-21-23)22(19(16)25)10-13-3-5-15(26-2)6-4-13;1-13-7-17(18(10-20-13)23-11-15(12-24)9-22-23)19(25)21-8-14-3-5-16(26-2)6-4-14;1-9-5-11-12(7-19(9)15(23)24-16(2,3)4)20-13(18-14(11)22)10(8-21)6-17-20;1-10-7-13(14(16)9-17-10)15(19)18-8-11-3-5-12(20-2)6-4-11;1-20-10-4-2-9(3-5-10)7-18-14(19)11-6-13(15)17-8-12(11)16;1-6-2-8-9(4-12-6)15-10(14-11(8)17)7(5-16)3-13-15;1-10-8(11)6-2-4-7(5-3-6)9(12)13;1-5-4-6(8(10)11)2-3-7(5)9;1-10-8-4-2-7(6-9)3-5-8;7-5-1-3(6(10)11)4(8)2-9-5;7-3-4-1-5-6-2-4;1-4-7-5(2)9-6(3)8-4;1-2;;/h2*1,6-11,13-14,16H,5,12,15H2,2-3H3,(H,34,39);1,7-13,15,18H,6,14,16H2,2-4H3,(H,31,36);1,8-11,13,15,21,32H,12,14H2,2-6H3,(H,27,33);1,9-12,14,16H,8,13,15H2,2-6H3,(H,27,32);6-9,11,13-14H,10,12H2,1-5H3,(H,25,31);6-9,11,14-15H,10,12-13H2,1-5H3;1,6-9,11,13,23H,5,10,12H2,2-3H3,(H,22,27);3-9,11H,10H2,1-2H3;3-7,9-12H,8H2,1-2H3,(H,21,25);6,8-9H,5,7H2,1-4H3,(H,18,22);3-7,9H,8H2,1-2H3,(H,18,19);2-6,8H,7H2,1H3,(H,18,19);3,5-6,12H,2,4H2,1H3,(H,14,17);2-5,12-13H,1H3,(H,10,11);2-4H,1H3,(H,10,11);2-5H,6,9H2,1H3;1-2H,(H,10,11);1-3H,(H,5,6);1-3H3;1H;1H;/q;;;;;;;;;;;;;;;;;;;;-1;;+2/p-1/t2*16-;;;;;;;;;;;;;;;;;;;;;/m10...................../s1.
What are the key properties of magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide?
magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide has a molecular weight of 7064.76 g/mol, XLogP of 36.59, 55 rotatable bonds, 22 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide;2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-3-methylbenzoic acid;4-[12-(4-bromo-3-methylbenzoyl)-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;4-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;tert-butyl 5-formyl-7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-formyl-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 5-(1-hydroxyprop-2-ynyl)-11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;tert-butyl 11-methyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;5-fluoro-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide;(4-methoxyphenyl)methanamine;7-[(4-methoxyphenyl)methyl]-11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbaldehyde;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-4-(11-methyl-8-oxo-5-prop-2-ynyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl)benzamide;11-methyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-5-carbaldehyde;1H-pyrazole-4-carbaldehyde;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;bromide is sourced from PubChem (CID 165023831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).