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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H18N4O/c1-16-7-5-6-10-20(16)24-21(26)19(12-22)11-18-13-23-25(15-18)14-17-8-3-2-4-9-17/h2-11,13,15H,14H2,1H3,(H,24,26)/b19-11+