5-[4-(2-chlorophenyl)-3-methoxy-phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid

Systemtic Name: 5-[4-(2-chlorophenyl)-3-methoxy-phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Openeye Name: 5-[4-(2-chlorophenyl)-3-methoxy-benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid CAS Name: 5-[[4-(2-chlorophenyl)-3-methoxyphenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid IUPAC Name: 5-[4-(2-chlorophenyl)-3-methoxybenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Traditional Name: 5-[4-(2-chlorophenyl)-3-methoxy-benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Formula: C27H21ClN2O4 MolecularWeight: 472.91964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)O)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)O)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H21ClN2O4/c1-34-25-14-17(10-12-21(25)20-7-3-4-8-22(20)28)26(31)30-16-19-11-13-24(27(32)33)29(19)15-18-6-2-5-9-23(18)30/h2-14H,15-16H2,1H3,(H,32,33)