ethyl 1-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]nipecotic acid ethyl ester Formula: C20H19F3N4O3S MolecularWeight: 452.45007

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C20H19F3N4O3S/c1-2-30-19(29)12-5-3-7-26(11-12)18(28)13-10-24-27-16(20(21,22)23)9-14(25-17(13)27)15-6-4-8-31-15/h4,6,8-10,12H,2-3,5,7,11H2,1H3