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

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C27H25FN4O3 MolecularWeight: 472.510803

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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=C5F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H25FN4O3/c1-18-6-8-19(9-7-18)26-29-22-11-10-20(16-23(22)30-26)27(34)35-17-25(33)32-14-12-31(13-15-32)24-5-3-2-4-21(24)28/h2-11,16H,12-15,17H2,1H3,(H,29,30)