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

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: (E)-3-[3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-N-methyl-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-2-cyano-N-methyl-acrylamide Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O/c1-24-21(27)17(12-23)11-18-14-26(13-15-5-3-2-4-6-15)25-20(18)16-7-9-19(22)10-8-16/h2-11,14H,13H2,1H3,(H,24,27)/b17-11+