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

Systemtic Name: [3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-tert-butylphenyl)methanone IUPAC Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-tert-butylphenyl)methanone Formula: C21H20BrF3N2O2 MolecularWeight: 469.29491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrF3N2O2/c1-19(2,3)15-8-4-14(5-9-15)18(28)27-20(29,21(23,24)25)12-17(26-27)13-6-10-16(22)11-7-13/h4-11,29H,12H2,1-3H3