2-(3,4-dimethoxyphenyl)-1-[5-oxidanyl-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[5-oxidanyl-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-(3-pyridyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-(3-pyridinyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-(3-pyridyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C19H18F3N3O4 MolecularWeight: 409.35913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2C(CC(=N2)C3=CN=CC=C3)(C(F)(F)F)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2C(CC(=N2)C3=CN=CC=C3)(C(F)(F)F)O)OC

InChI

InChI=1S/C19H18F3N3O4/c1-28-15-6-5-12(8-16(15)29-2)9-17(26)25-18(27,19(20,21)22)10-14(24-25)13-4-3-7-23-11-13/h3-8,11,27H,9-10H2,1-2H3