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

Systemtic Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C23H20N4O MolecularWeight: 368.4311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O/c1-3-12-25-23(28)19(15-24)14-20-16-27(21-10-5-4-6-11-21)26-22(20)18-9-7-8-17(2)13-18/h3-11,13-14,16H,1,12H2,2H3,(H,25,28)/b19-14+