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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H25N5O2/c1-3-35-25-11-12-26(20(2)14-25)27-23(19-33(32-27)24-9-5-4-6-10-24)15-22(16-29)28(34)31-18-21-8-7-13-30-17-21/h4-15,17,19H,3,18H2,1-2H3,(H,31,34)/b22-15+