(4-tert-butylphenyl)-[(5S)-5-oxidanyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(5S)-5-oxidanyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(5S)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[(5S)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[(5S)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(5S)-5-hydroxy-5-phenyl-3-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C21H21F3N2O2 MolecularWeight: 390.39885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(CC(=N2)C(F)(F)F)(C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2[C@](CC(=N2)C(F)(F)F)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H21F3N2O2/c1-19(2,3)15-11-9-14(10-12-15)18(27)26-20(28,16-7-5-4-6-8-16)13-17(25-26)21(22,23)24/h4-12,28H,13H2,1-3H3/t20-/m0/s1