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

Systemtic Name: (4-bromophenyl)-[3-(3-methylbutyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (4-bromophenyl)-[5-hydroxy-3-isopentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (4-bromophenyl)-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (4-bromophenyl)-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (4-bromophenyl)-[5-hydroxy-3-isoamyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C16H18BrF3N2O2 MolecularWeight: 407.22553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrF3N2O2/c1-10(2)3-8-13-9-15(24,16(18,19)20)22(21-13)14(23)11-4-6-12(17)7-5-11/h4-7,10,24H,3,8-9H2,1-2H3