1-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-2-(4-methyl-1-piperazinyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-2-(4-methylpiperazino)benzimidazole-5-carboxylic acid Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c1-23-8-10-24(11-9-23)20-22-17-12-15(19(26)27)4-7-18(17)25(20)13-14-2-5-16(21)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,26,27)