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

Systemtic Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(4-ethylphenyl)acrylamide Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O/c1-2-17-8-10-21(11-9-17)25-22(27)20(13-23)12-19-14-24-26(16-19)15-18-6-4-3-5-7-18/h3-12,14,16H,2,15H2,1H3,(H,25,27)/b20-12+