N-(2-azanylcyclohexyl)-1-(4-tert-butylphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-1-(4-tert-butylphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(4-tert-butylphenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C33H38N4O3 MolecularWeight: 538.67982

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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)NC4CCCCC4N)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)NC4CCCCC4N)C5=CC=CC=C5

InChI

InChI=1S/C33H38N4O3/c1-33(2,3)24-16-13-22(14-17-24)32(40)37-28-18-15-23(31(39)36-26-12-8-7-11-25(26)34)19-27(28)35-30(38)20-29(37)21-9-5-4-6-10-21/h4-6,9-10,13-19,25-26,29H,7-8,11-12,20,34H2,1-3H3,(H,35,38)(H,36,39)