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

Systemtic Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-methyl-prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-methyl-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-N-methyl-acrylamide Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O2/c1-24-22(27)18(13-23)12-19-15-26(14-16-6-4-3-5-7-16)25-21(19)17-8-10-20(28-2)11-9-17/h3-12,15H,14H2,1-2H3,(H,24,27)/b18-12+