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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-ethyl-3,5-dimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3/c1-5-26-16(4)19(15(3)20(26)22(28)29-6-2)21(27)25-12-10-24(11-13-25)18-9-7-8-17(23)14-18/h7-9,14H,5-6,10-13H2,1-4H3