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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C)C

InChI

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