4-methoxy-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-one

Systemtic Name: 4-methoxy-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-one Openeye Name: 4-methoxy-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-one CAS Name: 4-methoxy-1-[3-(trifluoromethyl)-1-pyrazolyl]-1-butanone IUPAC Name: 4-methoxy-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-one Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-one Formula: C9H11F3N2O2 MolecularWeight: 236.19105

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC(=O)N1C=CC(=N1)C(F)(F)F

Isomeric SMILES

COCCCC(=O)N1C=CC(=N1)C(F)(F)F

InChI

InChI=1S/C9H11F3N2O2/c1-16-6-2-3-8(15)14-5-4-7(13-14)9(10,11)12/h4-5H,2-3,6H2,1H3