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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-(3-methoxyphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-[(3-methoxyphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-cyclohexyl-4-keto-1-m-anisoyl-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=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC(=C4)CN)C5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC(=C4)CN)C5CCCCC5

InChI

InChI=1S/C32H36N4O4/c1-40-26-12-6-11-25(16-26)32(39)36-28-14-13-24(31(38)34-20-22-8-5-7-21(15-22)19-33)17-27(28)35-30(37)18-29(36)23-9-3-2-4-10-23/h5-8,11-17,23,29H,2-4,9-10,18-20,33H2,1H3,(H,34,38)(H,35,37)