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

Systemtic Name: 4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-5-methyl-pyrazol-3-one Openeye Name: 4-[(2-fluoro-4-methoxy-phenyl)methyl]-5-methyl-pyrazol-3-one CAS Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-3-pyrazolone IUPAC Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-one Traditional Name: 4-(2-fluoro-4-methoxy-benzyl)-5-methyl-pyrazol-3-one Formula: C12H11FN2O2 MolecularWeight: 234.226343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)CC2=C(C=C(C=C2)OC)F

Isomeric SMILES

CC1=C(C(=O)N=N1)CC2=C(C=C(C=C2)OC)F

InChI

InChI=1S/C12H11FN2O2/c1-7-10(12(16)15-14-7)5-8-3-4-9(17-2)6-11(8)13/h3-4,6H,5H2,1-2H3