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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-methylphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-methylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[(4-methylphenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-methylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-2-phenyl-1-p-toluoyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C32H36N4O3 MolecularWeight: 524.65324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NCC4CCCC(C4)CN)C5=CC=CC=C5

Isomeric SMILES

CC1=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/C32H36N4O3/c1-21-10-12-25(13-11-21)32(39)36-28-15-14-26(31(38)34-20-23-7-5-6-22(16-23)19-33)17-27(28)35-30(37)18-29(36)24-8-3-2-4-9-24/h2-4,8-15,17,22-23,29H,5-7,16,18-20,33H2,1H3,(H,34,38)(H,35,37)