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

Systemtic Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(2-fluorophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(2-fluorophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-N-(2-fluorophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-N-(2-fluorophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-(2-fluorophenyl)acrylamide Formula: C22H16FN5O MolecularWeight: 385.393743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=CC=C3F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3=CC=CC=C3F)CCC#N

InChI

InChI=1S/C22H16FN5O/c23-19-9-4-5-10-20(19)26-22(29)17(14-25)13-18-15-28(12-6-11-24)27-21(18)16-7-2-1-3-8-16/h1-5,7-10,13,15H,6,12H2,(H,26,29)/b17-13+