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

Systemtic Name: (3-bromophenyl)-[5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (3-bromophenyl)-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (3-bromophenyl)-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (3-bromophenyl)-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (3-bromophenyl)-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C15H16BrF3N2O2 MolecularWeight: 393.19895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrF3N2O2/c1-13(2,3)14(23)8-11(15(17,18)19)20-21(14)12(22)9-5-4-6-10(16)7-9/h4-7,23H,8H2,1-3H3