5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid

Systemtic Name: 5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid Openeye Name: 5-(3-pyridylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid CAS Name: 5-(3-pyridinylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid IUPAC Name: 5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid Traditional Name: 5-(3-pyridylmethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N3C=CC=C3C(N1CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2N3C=CC=C3C(N1CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C19H17N3O2/c23-19(24)18-17-8-4-10-22(17)16-7-2-1-6-15(16)13-21(18)12-14-5-3-9-20-11-14/h1-11,18H,12-13H2,(H,23,24)