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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CS4

InChI

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