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

Systemtic Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-phenethyl-acrylamide Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H24N4O2/c1-34-26-14-12-22(13-15-26)27-24(20-32(31-27)25-10-6-3-7-11-25)18-23(19-29)28(33)30-17-16-21-8-4-2-5-9-21/h2-15,18,20H,16-17H2,1H3,(H,30,33)/b23-18+