N-(2-azanylcyclohexyl)-1-(3,3-dimethylbutanoyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3,3-dimethylbutanoyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3,3-dimethylbutanoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-(3,3-dimethyl-1-oxobutyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3,3-dimethylbutanoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(3,3-dimethylbutanoyl)-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC(C)(C)C)C=CC(=C3)C(=O)NC4CCCCC4N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CC(C)(C)C)C=CC(=C3)C(=O)NC4CCCCC4N

InChI

InChI=1S/C29H38N4O3/c1-18-9-11-19(12-10-18)25-16-26(34)31-23-15-20(28(36)32-22-8-6-5-7-21(22)30)13-14-24(23)33(25)27(35)17-29(2,3)4/h9-15,21-22,25H,5-8,16-17,30H2,1-4H3,(H,31,34)(H,32,36)