2-oxidanylidene-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxylic acid

Systemtic Name: 2-oxidanylidene-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxylic acid Openeye Name: 2-oxo-6-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-3H-benzimidazole-1-carboxylic acid CAS Name: 2-oxo-6-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3H-benzimidazole-1-carboxylic acid IUPAC Name: 2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxylic acid Traditional Name: 2-keto-6-[2-[4-(2-pyridyl)piperazino]ethyl]-3H-benzimidazole-1-carboxylic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=O)N3C(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=O)N3C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C19H21N5O3/c25-18-21-15-5-4-14(13-16(15)24(18)19(26)27)6-8-22-9-11-23(12-10-22)17-3-1-2-7-20-17/h1-5,7,13H,6,8-12H2,(H,21,25)(H,26,27)