(5-methyl-2-propan-2-yl-cyclohexyl) 7-chloranyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 7-chloranyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 7-chloro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: 7-chloro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 7-chloro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-chloro-2-keto-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C26H31ClN2O3/c1-16(2)20-11-9-17(3)13-23(20)32-26(31)29-15-24(30)28-22-12-10-19(27)14-21(22)25(29)18-7-5-4-6-8-18/h4-8,10,12,14,16-17,20,23,25H,9,11,13,15H2,1-3H3,(H,28,30)