4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acryloyl]benzonitrile Formula: C22H16N4O MolecularWeight: 352.38864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O/c23-13-4-14-26-16-20(22(25-26)19-5-2-1-3-6-19)11-12-21(27)18-9-7-17(15-24)8-10-18/h1-3,5-12,16H,4,14H2/b12-11+