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

Systemtic Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-p-phenetyl-acrylamide Formula: C33H34N4O3 MolecularWeight: 534.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=C(C=C3)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OCC)C4=CC=CC=C4

InChI

InChI=1S/C33H34N4O3/c1-3-5-6-10-21-40-31-17-13-25(14-18-31)32-27(24-37(36-32)29-11-8-7-9-12-29)22-26(23-34)33(38)35-28-15-19-30(20-16-28)39-4-2/h7-9,11-20,22,24H,3-6,10,21H2,1-2H3,(H,35,38)/b26-22+