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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-19-7-9-20(10-8-19)26-28-23-12-11-21(17-24(23)29-26)27(33)34-18-25(32)31-15-13-30(14-16-31)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,28,29)