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

Systemtic Name: tert-butyl 4-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-methylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25F3N4O3 MolecularWeight: 438.44341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O3/c1-14-5-7-15(8-6-14)28-17(21(22,23)24)16(13-25-28)18(29)26-9-11-27(12-10-26)19(30)31-20(2,3)4/h5-8,13H,9-12H2,1-4H3