tert-butyl 4-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-methyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-methyl-1-[2-(trifluoromethyl)phenyl]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=C(C=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

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