ethyl 1-[2-(4-chlorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H22ClN3O3S/c1-2-29-22(28)15-9-11-25(12-10-15)21(27)19-14-18(20-4-3-13-30-20)24-26(19)17-7-5-16(23)6-8-17/h3-8,13-15H,2,9-12H2,1H3