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

Systemtic Name: 5-[5-chloranyl-4-(2-fluorophenyl)-2-methoxy-phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Openeye Name: 5-[5-chloro-4-(2-fluorophenyl)-2-methoxy-benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid CAS Name: 5-[[5-chloro-4-(2-fluorophenyl)-2-methoxyphenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid IUPAC Name: 5-[5-chloro-4-(2-fluorophenyl)-2-methoxybenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Traditional Name: 5-[5-chloro-4-(2-fluorophenyl)-2-methoxy-benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Formula: C27H20ClFN2O4 MolecularWeight: 490.910103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CC=CC=C2F)Cl)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CC=CC=C2F)Cl)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C27H20ClFN2O4/c1-35-25-13-19(18-7-3-4-8-22(18)29)21(28)12-20(25)26(32)31-15-17-10-11-24(27(33)34)30(17)14-16-6-2-5-9-23(16)31/h2-13H,14-15H2,1H3,(H,33,34)