(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)acrylonitrile Formula: C22H19N3O MolecularWeight: 341.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C(\C#N)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O/c1-16-21(13-20(14-23)22(26)19-11-7-4-8-12-19)17(2)25(24-16)15-18-9-5-3-6-10-18/h3-13H,15H2,1-2H3/b20-13+