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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-(3-cyclopentyl-1-oxopropyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H40N4O3 MolecularWeight: 516.6743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CCC4CCCC4)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CCC4CCCC4)C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C31H40N4O3/c1-20-10-13-22(14-11-20)28-19-29(36)33-26-18-23(31(38)34-25-9-5-4-8-24(25)32)15-16-27(26)35(28)30(37)17-12-21-6-2-3-7-21/h10-11,13-16,18,21,24-25,28H,2-9,12,17,19,32H2,1H3,(H,33,36)(H,34,38)