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

Systemtic Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-p-phenetyl-acrylamide Formula: C31H28N4O3 MolecularWeight: 504.57902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28N4O3/c1-4-17-38-28-15-16-29(22(3)18-28)30-24(21-35(34-30)26-9-7-6-8-10-26)19-23(20-32)31(36)33-25-11-13-27(14-12-25)37-5-2/h4,6-16,18-19,21H,1,5,17H2,2-3H3,(H,33,36)/b23-19+