methyl 5-fluoranyl-2-[(1-methylpyrazol-4-yl)methylamino]benzoate

Systemtic Name: methyl 5-fluoranyl-2-[(1-methylpyrazol-4-yl)methylamino]benzoate Openeye Name: methyl 5-fluoro-2-[(1-methylpyrazol-4-yl)methylamino]benzoate CAS Name: 5-fluoro-2-[(1-methyl-4-pyrazolyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 5-fluoro-2-[(1-methylpyrazol-4-yl)methylamino]benzoate Traditional Name: 5-fluoro-2-[(1-methylpyrazol-4-yl)methylamino]benzoic acid methyl ester Formula: C13H14FN3O2 MolecularWeight: 263.267563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=C(C=C(C=C2)F)C(=O)OC

Isomeric SMILES

CN1C=C(C=N1)CNC2=C(C=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C13H14FN3O2/c1-17-8-9(7-16-17)6-15-12-4-3-10(14)5-11(12)13(18)19-2/h3-5,7-8,15H,6H2,1-2H3