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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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