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

Systemtic Name: ethyl 4-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H21F3N4O3S MolecularWeight: 478.48735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C22H21F3N4O3S/c1-2-32-21(31)28-11-9-27(10-12-28)20(30)15-5-7-16(8-6-15)29-17(18-4-3-13-33-18)14-19(26-29)22(23,24)25/h3-8,13-14H,2,9-12H2,1H3