ethyl 5-(4-ethanoylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-ethanoylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate CAS Name: 5-(4-acetylphenyl)-1-(4-fluorophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H17FN2O3 MolecularWeight: 352.358983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O3/c1-3-26-20(25)18-12-19(15-6-4-14(5-7-15)13(2)24)23(22-18)17-10-8-16(21)9-11-17/h4-12H,3H2,1-2H3