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

Systemtic Name: methyl (E)-2-cyano-3-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (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-propenoic acid methyl ester IUPAC Name: methyl (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]acrylic acid methyl ester Formula: C21H16FN3O2 MolecularWeight: 361.369043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O2/c1-14-3-5-15(6-4-14)20-17(11-16(12-23)21(26)27-2)13-25(24-20)19-9-7-18(22)8-10-19/h3-11,13H,1-2H3/b16-11+