(E)-N-(4-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylamide Formula: C22H16ClN5O MolecularWeight: 401.84834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C22H16ClN5O/c23-19-7-9-20(10-8-19)26-22(29)17(14-25)13-18-15-28(12-4-11-24)27-21(18)16-5-2-1-3-6-16/h1-3,5-10,13,15H,4,12H2,(H,26,29)/b17-13+