1-[5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-phenyl-ethanone Formula: C16H19F3N2O2 MolecularWeight: 328.32947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=CC=C2)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C16H19F3N2O2/c1-14(2,3)15(23)10-12(16(17,18)19)20-21(15)13(22)9-11-7-5-4-6-8-11/h4-8,23H,9-10H2,1-3H3