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

Systemtic Name: (E)-2-cyano-N-(4-methylphenyl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-N-(p-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-methylphenyl)-3-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-methylphenyl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-N-(p-tolyl)acrylamide Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H26N4O2/c1-3-17-35-27-15-11-22(12-16-27)28-24(20-33(32-28)26-7-5-4-6-8-26)18-23(19-30)29(34)31-25-13-9-21(2)10-14-25/h4-16,18,20H,3,17H2,1-2H3,(H,31,34)/b23-18+