7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepine-8-carboxylic acid

Systemtic Name: 7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepine-8-carboxylic acid Openeye Name: 1-benzyl-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-8-carboxylic acid CAS Name: 7-chloro-3-methyl-2-oxo-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepine-8-carboxylic acid IUPAC Name: 1-benzyl-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-8-carboxylic acid Traditional Name: 1-benzyl-7-chloro-2-keto-3-methyl-5-phenyl-3H-1,4-benzodiazepine-8-carboxylic acid Formula: C24H19ClN2O3 MolecularWeight: 418.87226

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)Cl)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(C2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)Cl)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H19ClN2O3/c1-15-23(28)27(14-16-8-4-2-5-9-16)21-13-18(24(29)30)20(25)12-19(21)22(26-15)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,29,30)