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

Systemtic Name: methyl 1-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H20F3N3O3S MolecularWeight: 463.47271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3N3O3S/c1-31-21(30)15-8-10-27(11-9-15)20(29)14-4-6-16(7-5-14)28-17(18-3-2-12-32-18)13-19(26-28)22(23,24)25/h2-7,12-13,15H,8-11H2,1H3