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

Systemtic Name: (E)-2-cyano-N-ethyl-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-ethyl-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-ethyl-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-ethyl-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-ethyl-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC)C3=CC=CC=C3

InChI

InChI=1S/C27H30N4O2/c1-3-5-6-10-17-33-25-15-13-21(14-16-25)26-23(18-22(19-28)27(32)29-4-2)20-31(30-26)24-11-8-7-9-12-24/h7-9,11-16,18,20H,3-6,10,17H2,1-2H3,(H,29,32)/b22-18+