4-[2-(but-2-ynoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-(but-2-ynoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-(but-2-ynoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-(but-2-ynoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-(but-2-ynoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-(but-2-ynoxymethyl)-6-(trifluoromethyl)nicotinoyl]-2-methyl-3-pyrazolin-3-one Formula: C16H14F3N3O3 MolecularWeight: 353.29587

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOCC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=CNN(C2=O)C

Isomeric SMILES

CC#CCOCC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=CNN(C2=O)C

InChI

InChI=1S/C16H14F3N3O3/c1-3-4-7-25-9-12-10(5-6-13(21-12)16(17,18)19)14(23)11-8-20-22(2)15(11)24/h5-6,8,20H,7,9H2,1-2H3