1-[(5S)-5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[(5S)-5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C18H23F3N2O2 MolecularWeight: 356.38263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)CCCC2=CC=CC=C2)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)[C@]1(CC(=NN1C(=O)CCCC2=CC=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C18H23F3N2O2/c1-16(2,3)17(25)12-14(18(19,20)21)22-23(17)15(24)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,25H,7,10-12H2,1-3H3/t17-/m0/s1