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

Systemtic Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-acrylamide Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC=C)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H24N4O/c1-4-12-27-25(30)22(15-26)14-23-17-29(16-20-8-6-5-7-9-20)28-24(23)21-11-10-18(2)19(3)13-21/h4-11,13-14,17H,1,12,16H2,2-3H3,(H,27,30)/b22-14+