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

Systemtic Name: 5-(6-phenylpyridin-3-yl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Openeye Name: 5-(6-phenylpyridine-3-carbonyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid CAS Name: 5-[oxo-(6-phenyl-3-pyridinyl)methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid IUPAC Name: 5-(6-phenylpyridine-3-carbonyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Traditional Name: 5-(6-phenylnicotinoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=C(N31)C(=O)O)C(=O)C4=CN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=C(N31)C(=O)O)C(=O)C4=CN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3/c29-24(18-10-12-21(26-14-18)17-6-2-1-3-7-17)28-16-20-11-13-23(25(30)31)27(20)15-19-8-4-5-9-22(19)28/h1-14H,15-16H2,(H,30,31)