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

Systemtic Name: tert-butyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(1-pyrazolyl)-5-(trifluoromethyl)anilino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H24F3N5O3 MolecularWeight: 439.43147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

InChI

InChI=1S/C20H24F3N5O3/c1-19(2,3)31-18(30)27-11-9-26(10-12-27)17(29)25-15-13-14(20(21,22)23)5-6-16(15)28-8-4-7-24-28/h4-8,13H,9-12H2,1-3H3,(H,25,29)