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

Systemtic Name: methyl 1-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-2-(4-methyl-1-piperazinyl)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)benzimidazole-5-carboxylate Traditional Name: 1-(4-chlorobenzyl)-2-(4-methylpiperazino)benzimidazole-5-carboxylic acid methyl ester Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O2/c1-24-9-11-25(12-10-24)21-23-18-13-16(20(27)28-2)5-8-19(18)26(21)14-15-3-6-17(22)7-4-15/h3-8,13H,9-12,14H2,1-2H3