N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol

C220H236F3N39O16S — CID 158964162

IUPACN-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol
SMILESCCN(CC)CCCNC(=O)c1ccccc1Nc1cccc(/C=C/c2ccncc2)c1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4OC)cc3)c2)nn1.COc1ccc(C(=O)Nc2ccc(Nc3cccc(C(=O)CCCCn4ccnc4)c3)cc2)cc1.COc1cccc(Cc2ccc(C(=O)NCCCn3ccnc3)cc2C)c1.COc1cccc(Cc2ccc(C(=O)NCCN(C)C)cc2C)c1.NS(=O)(=O)c1cccc(Nc2cccc(/C=C/c3ccncc3)c2)c1.OCCCc1cn(-c2ccc(Nc3cccc(/C=C/c4ccncc4)c3)cc2)nn1
InChIInChI=1S/C28H28N4O3.C27H27F3N6O2.C27H30N6O2.C27H32N4O.C26H28N6O.C24H23N5O.C22H25N3O2.C20H26N2O2.C19H17N3O2S/c1-35-26-14-8-21(9-15-26)28(34)31-24-12-10-23(11-13-24)30-25-6-4-5-22(19-25)27(33)7-2-3-17-32-18-16-29-20-32;1-3-35(4-2)17-23-18-36(34-33-23)24-7-5-6-22(16-24)31-20-10-12-21(13-11-20)32-26(37)19-8-14-25(15-9-19)38-27(28,29)30;1-4-32(5-2)18-23-19-33(31-30-23)24-10-8-9-22(17-24)28-20-13-15-21(16-14-20)29-27(34)25-11-6-7-12-26(25)35-3;1-3-31(4-2)20-8-17-29-27(32)25-11-5-6-12-26(25)30-24-10-7-9-23(21-24)14-13-22-15-18-28-19-16-22;1-3-31(4-2)18-24-19-32(30-29-24)25-12-8-11-23(17-25)27-21-13-15-22(16-14-21)28-26(33)20-9-6-5-7-10-20;30-16-2-5-23-18-29(28-27-23)24-10-8-21(9-11-24)26-22-4-1-3-20(17-22)7-6-19-12-14-25-15-13-19;1-17-13-20(22(26)24-9-4-11-25-12-10-23-16-25)8-7-19(17)14-18-5-3-6-21(15-18)27-2;1-15-12-18(20(23)21-10-11-22(2)3)9-8-17(15)13-16-6-5-7-19(14-16)24-4;20-25(23,24)19-6-2-5-18(14-19)22-17-4-1-3-16(13-17)8-7-15-9-11-21-12-10-15/h4-6,8-16,18-20,30H,2-3,7,17H2,1H3,(H,31,34);5-16,18,31H,3-4,17H2,1-2H3,(H,32,37);6-17,19,28H,4-5,18H2,1-3H3,(H,29,34);5-7,9-16,18-19,21,30H,3-4,8,17,20H2,1-2H3,(H,29,32);5-17,19,27H,3-4,18H2,1-2H3,(H,28,33);1,3-4,6-15,17-18,26,30H,2,5,16H2;3,5-8,10,12-13,15-16H,4,9,11,14H2,1-2H3,(H,24,26);5-9,12,14H,10-11,13H2,1-4H3,(H,21,23);1-14,22H,(H2,20,23,24)/b;;;14-13+;;7-6+;;;8-7+
InChIKeyJMZHOYYVGXOSKW-UAQQYLDVSA-N
MW3771.63 g/mol
LogP42.26
Rot. Bonds79

About N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol

N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol (PubChem CID 158964162) has the molecular formula C220H236F3N39O16S and a molecular weight of 3771.63 g/mol. Its IUPAC name is N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound NameN-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol
PubChem CID158964162
Molecular FormulaC220H236F3N39O16S
Molecular Weight3771.63 g/mol
Exact Mass3768.85
IUPAC NameN-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol
SMILESCCN(CC)CCCNC(=O)c1ccccc1Nc1cccc(/C=C/c2ccncc2)c1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4OC)cc3)c2)nn1.COc1ccc(C(=O)Nc2ccc(Nc3cccc(C(=O)CCCCn4ccnc4)c3)cc2)cc1.COc1cccc(Cc2ccc(C(=O)NCCCn3ccnc3)cc2C)c1.COc1cccc(Cc2ccc(C(=O)NCCN(C)C)cc2C)c1.NS(=O)(=O)c1cccc(Nc2cccc(/C=C/c3ccncc3)c2)c1.OCCCc1cn(-c2ccc(Nc3cccc(/C=C/c4ccncc4)c3)cc2)nn1
InChIInChI=1S/C28H28N4O3.C27H27F3N6O2.C27H30N6O2.C27H32N4O.C26H28N6O.C24H23N5O.C22H25N3O2.C20H26N2O2.C19H17N3O2S/c1-35-26-14-8-21(9-15-26)28(34)31-24-12-10-23(11-13-24)30-25-6-4-5-22(19-25)27(33)7-2-3-17-32-18-16-29-20-32;1-3-35(4-2)17-23-18-36(34-33-23)24-7-5-6-22(16-24)31-20-10-12-21(13-11-20)32-26(37)19-8-14-25(15-9-19)38-27(28,29)30;1-4-32(5-2)18-23-19-33(31-30-23)24-10-8-9-22(17-24)28-20-13-15-21(16-14-20)29-27(34)25-11-6-7-12-26(25)35-3;1-3-31(4-2)20-8-17-29-27(32)25-11-5-6-12-26(25)30-24-10-7-9-23(21-24)14-13-22-15-18-28-19-16-22;1-3-31(4-2)18-24-19-32(30-29-24)25-12-8-11-23(17-25)27-21-13-15-22(16-14-21)28-26(33)20-9-6-5-7-10-20;30-16-2-5-23-18-29(28-27-23)24-10-8-21(9-11-24)26-22-4-1-3-20(17-22)7-6-19-12-14-25-15-13-19;1-17-13-20(22(26)24-9-4-11-25-12-10-23-16-25)8-7-19(17)14-18-5-3-6-21(15-18)27-2;1-15-12-18(20(23)21-10-11-22(2)3)9-8-17(15)13-16-6-5-7-19(14-16)24-4;20-25(23,24)19-6-2-5-18(14-19)22-17-4-1-3-16(13-17)8-7-15-9-11-21-12-10-15/h4-6,8-16,18-20,30H,2-3,7,17H2,1H3,(H,31,34);5-16,18,31H,3-4,17H2,1-2H3,(H,32,37);6-17,19,28H,4-5,18H2,1-3H3,(H,29,34);5-7,9-16,18-19,21,30H,3-4,8,17,20H2,1-2H3,(H,29,32);5-17,19,27H,3-4,18H2,1-2H3,(H,28,33);1,3-4,6-15,17-18,26,30H,2,5,16H2;3,5-8,10,12-13,15-16H,4,9,11,14H2,1-2H3,(H,24,26);5-9,12,14H,10-11,13H2,1-4H3,(H,21,23);1-14,22H,(H2,20,23,24)/b;;;14-13+;;7-6+;;;8-7+
InChIKeyJMZHOYYVGXOSKW-UAQQYLDVSA-N
XLogP42.26
TPSA644.87 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds79
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003771.63
LogP ≤ 542.26
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol with MolForge

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Related Compounds

4-benzyl-N-[3-(diethylamino)propyl]-3-methylbenzamide;N-[4-[[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]methyl]phenyl]-3-methoxybenzamide;N-[4-[4-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[3-[3-[5-(diethylamino)pentanoyl]anilino]phenyl]-3-methoxybenzamide;N-[3-(diethylamino)propyl]-4-[3-[(3-methoxybenzoyl)amino]anilino]-3-methylbenzamide;N-[3-(diethylamino)propyl]-3-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[3-[4-[4-(3-hydroxypropyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[4-(3-hydroxypropyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-methyl-N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 157731073
2-[3-[[4-(4-chloro-3H-pyrrol-2-yl)-2-methylphenyl]methyl]phenyl]-1-(3-methoxyphenyl)ethanone;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[[4-(7-hydroxyheptanoyl)-2-methylphenyl]methyl]phenyl]-3-methoxybenzamide;7-hydroxy-1-[4-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]phenyl]methyl]-3-methylphenyl]heptan-1-one;N-[4-[4-(5-hydroxypentylcarbamoyl)anilino]phenyl]-3-methoxybenzamide;N-[4-[4-[5-(2-hydroxypropan-2-yl)-3H-pyrazol-3-yl]anilino]phenyl]-3-methoxybenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide
CID 159547840
N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[[3-[(E)-2-pyridin-4-ylethenyl]phenyl]methyl]benzenesulfonamide
CID 161831781

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol?
The IUPAC name of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol (CID 158964162) is N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol is CCN(CC)CCCNC(=O)c1ccccc1Nc1cccc(/C=C/c2ccncc2)c1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2)nn1.CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccc4OC)cc3)c2)nn1.COc1ccc(C(=O)Nc2ccc(Nc3cccc(C(=O)CCCCn4ccnc4)c3)cc2)cc1.COc1cccc(Cc2ccc(C(=O)NCCCn3ccnc3)cc2C)c1.COc1cccc(Cc2ccc(C(=O)NCCN(C)C)cc2C)c1.NS(=O)(=O)c1cccc(Nc2cccc(/C=C/c3ccncc3)c2)c1.OCCCc1cn(-c2ccc(Nc3cccc(/C=C/c4ccncc4)c3)cc2)nn1.
What is the InChIKey of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol?
The InChIKey is JMZHOYYVGXOSKW-UAQQYLDVSA-N. The full InChI is InChI=1S/C28H28N4O3.C27H27F3N6O2.C27H30N6O2.C27H32N4O.C26H28N6O.C24H23N5O.C22H25N3O2.C20H26N2O2.C19H17N3O2S/c1-35-26-14-8-21(9-15-26)28(34)31-24-12-10-23(11-13-24)30-25-6-4-5-22(19-25)27(33)7-2-3-17-32-18-16-29-20-32;1-3-35(4-2)17-23-18-36(34-33-23)24-7-5-6-22(16-24)31-20-10-12-21(13-11-20)32-26(37)19-8-14-25(15-9-19)38-27(28,29)30;1-4-32(5-2)18-23-19-33(31-30-23)24-10-8-9-22(17-24)28-20-13-15-21(16-14-20)29-27(34)25-11-6-7-12-26(25)35-3;1-3-31(4-2)20-8-17-29-27(32)25-11-5-6-12-26(25)30-24-10-7-9-23(21-24)14-13-22-15-18-28-19-16-22;1-3-31(4-2)18-24-19-32(30-29-24)25-12-8-11-23(17-25)27-21-13-15-22(16-14-21)28-26(33)20-9-6-5-7-10-20;30-16-2-5-23-18-29(28-27-23)24-10-8-21(9-11-24)26-22-4-1-3-20(17-22)7-6-19-12-14-25-15-13-19;1-17-13-20(22(26)24-9-4-11-25-12-10-23-16-25)8-7-19(17)14-18-5-3-6-21(15-18)27-2;1-15-12-18(20(23)21-10-11-22(2)3)9-8-17(15)13-16-6-5-7-19(14-16)24-4;20-25(23,24)19-6-2-5-18(14-19)22-17-4-1-3-16(13-17)8-7-15-9-11-21-12-10-15/h4-6,8-16,18-20,30H,2-3,7,17H2,1H3,(H,31,34);5-16,18,31H,3-4,17H2,1-2H3,(H,32,37);6-17,19,28H,4-5,18H2,1-3H3,(H,29,34);5-7,9-16,18-19,21,30H,3-4,8,17,20H2,1-2H3,(H,29,32);5-17,19,27H,3-4,18H2,1-2H3,(H,28,33);1,3-4,6-15,17-18,26,30H,2,5,16H2;3,5-8,10,12-13,15-16H,4,9,11,14H2,1-2H3,(H,24,26);5-9,12,14H,10-11,13H2,1-4H3,(H,21,23);1-14,22H,(H2,20,23,24)/b;;;14-13+;;7-6+;;;8-7+.
What are the key properties of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol?
N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol has a molecular weight of 3771.63 g/mol, XLogP of 42.26, 79 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]benzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-2-methoxybenzamide;N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-4-(trifluoromethoxy)benzamide;N-[3-(diethylamino)propyl]-2-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide;N-[2-(dimethylamino)ethyl]-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;N-[4-[3-(5-imidazol-1-ylpentanoyl)anilino]phenyl]-4-methoxybenzamide;N-(3-imidazol-1-ylpropyl)-4-[(3-methoxyphenyl)methyl]-3-methylbenzamide;3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzenesulfonamide;3-[1-[4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 158964162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).