(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylonitrile Formula: C22H16N4O MolecularWeight: 352.38864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O/c23-12-7-13-26-16-20(21(25-26)17-8-3-1-4-9-17)14-19(15-24)22(27)18-10-5-2-6-11-18/h1-6,8-11,14,16H,7,13H2/b19-14+