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

Systemtic Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O/c1-4-12-26-24(29)19(15-25)14-20-16-28(21-8-6-5-7-9-21)27-23(20)22-11-10-17(2)13-18(22)3/h4-11,13-14,16H,1,12H2,2-3H3,(H,26,29)/b19-14+