[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl] ester Formula: C26H24ClN5O3 MolecularWeight: 489.95346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

InChI

InChI=1S/C26H24ClN5O3/c1-17-4-6-20(27)14-23(17)31-9-11-32(12-10-31)24(33)16-35-26(34)18-5-7-21-22(13-18)30-25(29-21)19-3-2-8-28-15-19/h2-8,13-15H,9-12,16H2,1H3,(H,29,30)