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

Systemtic Name: (5,5-dimethyl-2-propan-2-yl-cyclohexyl) 7-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepine-1-carboxylate Openeye Name: (2-isopropyl-5,5-dimethyl-cyclohexyl) 7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepine-1-carboxylate CAS Name: 7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepine-1-carboxylic acid (5,5-dimethyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5,5-dimethyl-2-propan-2-ylcyclohexyl) 7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepine-1-carboxylate Traditional Name: 7-chloro-2-keto-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepine-1-carboxylic acid (2-isopropyl-5,5-dimethyl-cyclohexyl) ester Formula: C27H33ClN2O3 MolecularWeight: 469.01552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1OC(=O)N2C(=O)CNC(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)C1CCC(CC1OC(=O)N2C(=O)CNC(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C27H33ClN2O3/c1-17(2)20-12-13-27(3,4)15-23(20)33-26(32)30-22-11-10-19(28)14-21(22)25(29-16-24(30)31)18-8-6-5-7-9-18/h5-11,14,17,20,23,25,29H,12-13,15-16H2,1-4H3