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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-tert-butylphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[(4-tert-butylphenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(4-tert-butylbenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C35H42N4O3 MolecularWeight: 566.73298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C35H42N4O3/c1-35(2,3)28-15-12-26(13-16-28)34(42)39-30-17-14-27(33(41)37-22-24-9-7-8-23(18-24)21-36)19-29(30)38-32(40)20-31(39)25-10-5-4-6-11-25/h4-6,10-17,19,23-24,31H,7-9,18,20-22,36H2,1-3H3,(H,37,41)(H,38,40)