phenyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate

Systemtic Name: phenyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate Openeye Name: phenyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)-4-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carboxylic acid phenyl ester Formula: C19H14FN3O2 MolecularWeight: 335.331763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)CCC#N

InChI

InChI=1S/C19H14FN3O2/c20-15-9-7-14(8-10-15)18-17(13-23(22-18)12-4-11-21)19(24)25-16-5-2-1-3-6-16/h1-3,5-10,13H,4,12H2