(E)-2-cyano-N-(4-ethoxyphenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-p-phenetyl-acrylamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H23N5O2/c1-2-34-25-12-10-24(11-13-25)30-27(33)22(16-28)15-23-19-32(18-20-7-4-3-5-8-20)31-26(23)21-9-6-14-29-17-21/h3-15,17,19H,2,18H2,1H3,(H,30,33)/b22-15+