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

Systemtic Name: [2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 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] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl] ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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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=CN4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H21ClN4O3/c1-14-2-4-16(22)11-19(14)25-6-8-26(9-7-25)20(27)12-29-21(28)15-3-5-17-18(10-15)24-13-23-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,24)