(E)-2-cyano-3-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3-(p-tolyl)pyrazol-4-yl]acrylate Formula: C20H13FN3O2- MolecularWeight: 346.334523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H14FN3O2/c1-13-2-4-14(5-3-13)19-16(10-15(11-22)20(25)26)12-24(23-19)18-8-6-17(21)7-9-18/h2-10,12H,1H3,(H,25,26)/p-1/b15-10+