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

Systemtic Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-N-isopropyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-propan-2-yl-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-2-cyano-N-isopropyl-acrylamide Formula: C25H26N4O MolecularWeight: 398.50014

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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)NC(C)C)CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O/c1-17(2)27-25(30)22(14-26)13-23-16-29(15-20-8-6-5-7-9-20)28-24(23)21-11-10-18(3)19(4)12-21/h5-13,16-17H,15H2,1-4H3,(H,27,30)/b22-13+