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

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

CN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4)Cl)C(=O)O

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4)Cl)C(=O)O

InChI

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