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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrF3N2O2/c1-10(2)6-7-13-9-15(24,16(18,19)20)22(21-13)14(23)11-4-3-5-12(17)8-11/h3-5,8,10,24H,6-7,9H2,1-2H3