2-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylic acid CAS Name: 2-(4-methyl-1-piperazinyl)-1-(phenylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylic acid Traditional Name: 1-benzyl-2-(4-methylpiperazino)benzimidazole-5-carboxylic acid Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H22N4O2/c1-22-9-11-23(12-10-22)20-21-17-13-16(19(25)26)7-8-18(17)24(20)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,25,26)