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

Systemtic Name: (3-chlorophenyl)-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (3-chlorophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (3-chlorophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (3-chlorophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (3-chlorophenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C14H14ClF3N2O2 MolecularWeight: 334.72137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClF3N2O2/c1-2-4-11-8-13(22,14(16,17)18)20(19-11)12(21)9-5-3-6-10(15)7-9/h3,5-7,22H,2,4,8H2,1H3