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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br

InChI

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