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

Systemtic Name: ethyl 1-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]isonipecotic acid ethyl ester Formula: C23H22F3N3O3S MolecularWeight: 477.49929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C23H22F3N3O3S/c1-2-32-22(31)16-9-11-28(12-10-16)21(30)15-5-7-17(8-6-15)29-18(19-4-3-13-33-19)14-20(27-29)23(24,25)26/h3-8,13-14,16H,2,9-12H2,1H3