(E)-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[5-(p-tolyl)-1H-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[5-(p-tolyl)-1H-pyrazol-4-yl]acrylamide Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3

InChI

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