N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-methoxyphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-methoxyphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-methoxybenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[(4-methoxyphenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-methoxybenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-1-p-anisoyl-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCC4CCCC(C4)CN)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCC4CCCC(C4)CN)C5=CC=CC=C5

InChI

InChI=1S/C32H36N4O4/c1-40-26-13-10-24(11-14-26)32(39)36-28-15-12-25(31(38)34-20-22-7-5-6-21(16-22)19-33)17-27(28)35-30(37)18-29(36)23-8-3-2-4-9-23/h2-4,8-15,17,21-22,29H,5-7,16,18-20,33H2,1H3,(H,34,38)(H,35,37)