(E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-p-phenetyl-acrylamide Formula: C27H21FN4O2 MolecularWeight: 452.479643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H21FN4O2/c1-2-34-25-14-12-23(13-15-25)30-27(33)20(17-29)16-21-18-32(24-6-4-3-5-7-24)31-26(21)19-8-10-22(28)11-9-19/h3-16,18H,2H2,1H3,(H,30,33)/b20-16+