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

Systemtic Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=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/C29H27N5O2/c1-2-3-16-36-27-13-11-23(12-14-27)28-25(21-34(33-28)26-9-5-4-6-10-26)17-24(18-30)29(35)32-20-22-8-7-15-31-19-22/h4-15,17,19,21H,2-3,16,20H2,1H3,(H,32,35)/b24-17+