About (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
(4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 159273445) has the molecular formula C136H138N20O14
and a molecular weight of 2276.73 g/mol. Its IUPAC name is (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
Frequently Asked Questions
What is the IUPAC name of (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 159273445) is (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is CC1CC(=O)Nc2cccc(C(=O)Cc3nccc4ccccc34)c2N1.CC1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2O1.COC(=O)c1ccc2cc(-c3cccc4c3N[C@H](C)CC(=O)N4)n(C)c2c1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)c2N1.C[C@@H]1CC(=O)Nc2cccc(/C=C/c3cnn(C)c3)c2N1.Cc1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1Cc1ccccc1.
What is the InChIKey of (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is KXZPKDUBNSGLRP-XOGFTBBBSA-N. The full InChI is InChI=1S/C22H23N3O.C21H21N3O3.C21H23N3O2.C21H19N3O2.C18H18N2O2.C17H16N2O3.C16H18N4O/c1-15-11-21(26)24-20-10-6-9-19(22(20)23-15)18-12-16(2)25(14-18)13-17-7-4-3-5-8-17;1-12-9-19(25)23-16-6-4-5-15(20(16)22-12)18-10-13-7-8-14(21(26)27-3)11-17(13)24(18)2;1-12-10-18(25)23-16-7-5-6-14(19(16)22-12)13-8-9-15-17(11-13)24(4)20(26)21(15,2)3;1-13-11-20(26)24-17-8-4-7-16(21(17)23-13)19(25)12-18-15-6-3-2-5-14(15)9-10-22-18;1-11-9-17(21)20-15-4-2-3-14(18(15)19-11)12-5-6-16-13(10-12)7-8-22-16;1-11-10-15(20)19-14-9-5-8-13(16(14)22-11)17(21)18-12-6-3-2-4-7-12;1-11-8-15(21)19-14-5-3-4-13(16(14)18-11)7-6-12-9-17-20(2)10-12/h3-10,12,14-15,23H,11,13H2,1-2H3,(H,24,26);4-8,10-12,22H,9H2,1-3H3,(H,23,25);5-9,11-12,22H,10H2,1-4H3,(H,23,25);2-10,13,23H,11-12H2,1H3,(H,24,26);2-6,10-11,19H,7-9H2,1H3,(H,20,21);2-9,11H,10H2,1H3,(H,18,21)(H,19,20);3-7,9-11,18H,8H2,1-2H3,(H,19,21)/b;;;;;;7-6+/t15-;2*12-;;11-;;11-/m111.1.1/s1.
What are the key properties of (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 2276.73 g/mol, XLogP of 25.19, 14 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(1-benzyl-5-methylpyrrol-3-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;6-(2-isoquinolin-1-ylacetyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;methyl 1-methyl-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indole-6-carboxylate;(4R)-4-methyl-6-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 159273445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).