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

Systemtic Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-acrylamide Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O/c1-15-6-5-9-17(10-15)20-19(11-18(12-22)21(23)26)14-25(24-20)13-16-7-3-2-4-8-16/h2-11,14H,13H2,1H3,(H2,23,26)/b18-11+