2-methylpropyl (5R)-7-bromanyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: 2-methylpropyl (5R)-7-bromanyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: isobutyl (5R)-7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: (5R)-7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (5R)-7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: (5R)-7-bromo-2-keto-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid isobutyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br

Isomeric SMILES

CC(C)COC(=O)N1CC(=O)NC2=C([C@H]1C3=CC=CC=C3)C=C(C=C2)Br

InChI

InChI=1S/C20H21BrN2O3/c1-13(2)12-26-20(25)23-11-18(24)22-17-9-8-15(21)10-16(17)19(23)14-6-4-3-5-7-14/h3-10,13,19H,11-12H2,1-2H3,(H,22,24)/t19-/m1/s1