2-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-methyl-1H-pyrazol-5-one

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-methyl-1H-pyrazol-5-one Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-methyl-1H-pyrazol-5-one CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-one Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-5-methyl-3-pyrazolin-3-one Formula: C12H13FN2O2 MolecularWeight: 236.242223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NN1CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=CC(=O)NN1CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C12H13FN2O2/c1-8-5-12(16)14-15(8)7-9-3-4-11(17-2)10(13)6-9/h3-6H,7H2,1-2H3,(H,14,16)