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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC1=C(C=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/C29H27N5O2/c1-3-14-36-27-12-11-23(15-21(27)2)28-25(20-34(33-28)26-9-5-4-6-10-26)16-24(17-30)29(35)32-19-22-8-7-13-31-18-22/h4-13,15-16,18,20H,3,14,19H2,1-2H3,(H,32,35)/b24-16+