(E)-2-cyano-N-(2,3-dimethylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)/C(=C/C2=CN(N=C2)C3=CC=CC=C3)/C#N)C

InChI

InChI=1S/C21H18N4O/c1-15-7-6-10-20(16(15)2)24-21(26)18(12-22)11-17-13-23-25(14-17)19-8-4-3-5-9-19/h3-11,13-14H,1-2H3,(H,24,26)/b18-11+