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

Systemtic Name: [3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3,4-dimethoxyphenyl)methanone Formula: C17H21F3N2O4 MolecularWeight: 374.35485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21F3N2O4/c1-4-5-6-12-10-16(24,17(18,19)20)22(21-12)15(23)11-7-8-13(25-2)14(9-11)26-3/h7-9,24H,4-6,10H2,1-3H3