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

Systemtic Name: (E)-2-cyano-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-N-(3-pyridylmethyl)acrylamide Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25N5O2/c1-2-15-35-26-12-10-22(11-13-26)27-24(20-33(32-27)25-8-4-3-5-9-25)16-23(17-29)28(34)31-19-21-7-6-14-30-18-21/h3-14,16,18,20H,2,15,19H2,1H3,(H,31,34)/b23-16+