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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36N4O4/c1-40-26-12-6-11-25(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/h2-4,6,9-14,16-17,21-22,29H,5,7-8,15,18-20,33H2,1H3,(H,34,38)(H,35,37)