1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-(cyanomethyl)-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-(cyanomethyl)piperazino]phenyl]benzimidazole-5-carboxylic acid Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC#N)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)O

InChI

InChI=1S/C20H19N5O2/c21-6-7-23-8-10-24(11-9-23)16-2-1-3-17(13-16)25-14-22-18-12-15(20(26)27)4-5-19(18)25/h1-5,12-14H,7-11H2,(H,26,27)