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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O3/c1-5-28-21(27)19-14(2)18(15(3)23(19)4)20(26)25-11-9-24(10-12-25)17-8-6-7-16(22)13-17/h6-8,13H,5,9-12H2,1-4H3