tert-butyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H22ClF3N4O3 MolecularWeight: 458.86189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H22ClF3N4O3/c1-19(2,3)31-18(30)27-9-7-26(8-10-27)17(29)15-12-25-28(16(15)20(22,23)24)14-6-4-5-13(21)11-14/h4-6,11-12H,7-10H2,1-3H3