(2-cyanophenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (2-cyanophenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (2-cyanobenzyl) ester Formula: C18H12FN3O2 MolecularWeight: 321.305183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C18H12FN3O2/c19-15-7-5-12(6-8-15)16-9-17(22-21-16)18(23)24-11-14-4-2-1-3-13(14)10-20/h1-9H,11H2,(H,21,22)