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

Systemtic Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-N-methyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]-N-methylprop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-acrylamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2/c1-3-4-5-9-16-32-24-14-12-20(13-15-24)25-22(17-21(18-27)26(31)28-2)19-30(29-25)23-10-7-6-8-11-23/h6-8,10-15,17,19H,3-5,9,16H2,1-2H3,(H,28,31)/b21-17+