[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-20-7-9-22(10-8-20)27-29-24-12-11-23(17-25(24)30-27)28(34)35-19-26(33)32-15-13-31(14-16-32)18-21-5-3-2-4-6-21/h2-12,17H,13-16,18-19H2,1H3,(H,29,30)