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

Systemtic Name: (2-bromophenyl)-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (2-bromophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (2-bromophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (2-bromophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (2-bromophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C14H14BrF3N2O2 MolecularWeight: 379.17237

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C14H14BrF3N2O2/c1-2-5-9-8-13(22,14(16,17)18)20(19-9)12(21)10-6-3-4-7-11(10)15/h3-4,6-7,22H,2,5,8H2,1H3