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

Systemtic Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-p-phenetyl-acrylamide Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O2/c1-2-28-21-10-8-20(9-11-21)25-22(27)19(13-23)12-18-14-24-26(16-18)15-17-6-4-3-5-7-17/h3-12,14,16H,2,15H2,1H3,(H,25,27)/b19-12+