methyl 4-(4-chlorophenyl)-3-(4-ethanoylpiperazin-1-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-(4-ethanoylpiperazin-1-yl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-(4-acetylpiperazin-1-yl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylate CAS Name: 3-(4-acetyl-1-piperazinyl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-acetylpiperazin-1-yl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(4-acetylpiperazino)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(NC=C2C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(NC=C2C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H20ClN3O3/c1-12(23)21-7-9-22(10-8-21)17-15(11-20-16(17)18(24)25-2)13-3-5-14(19)6-4-13/h3-6,11,20H,7-10H2,1-2H3