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

Systemtic Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2-methoxyethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2-methoxyethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(2-methoxyethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2-methoxyethyl)acrylamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3/c1-3-4-5-9-17-35-26-14-12-22(13-15-26)27-24(19-23(20-29)28(33)30-16-18-34-2)21-32(31-27)25-10-7-6-8-11-25/h6-8,10-15,19,21H,3-5,9,16-18H2,1-2H3,(H,30,33)/b23-19+