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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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