[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O3/c1-4-25-15(2)12-19(16(25)3)21(27)28-14-20(26)24-10-8-23(9-11-24)18-7-5-6-17(22)13-18/h5-7,12-13H,4,8-11,14H2,1-3H3