(E)-2-[2,3-bis(fluoranyl)phenyl]carbonyl-3-[4-(3-phenylpyrazol-1-yl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-[2,3-bis(fluoranyl)phenyl]carbonyl-3-[4-(3-phenylpyrazol-1-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(2,3-difluorobenzoyl)-3-[4-(3-phenylpyrazol-1-yl)phenyl]prop-2-enenitrile CAS Name: (E)-2-[(2,3-difluorophenyl)-oxomethyl]-3-[4-(3-phenyl-1-pyrazolyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,3-difluorobenzoyl)-3-[4-(3-phenylpyrazol-1-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(2,3-difluorobenzoyl)-3-[4-(3-phenylpyrazol-1-yl)phenyl]acrylonitrile Formula: C25H15F2N3O MolecularWeight: 411.402906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2)C3=CC=C(C=C3)C=C(C#N)C(=O)C4=C(C(=CC=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2)C3=CC=C(C=C3)/C=C(\C#N)/C(=O)C4=C(C(=CC=C4)F)F

InChI

InChI=1S/C25H15F2N3O/c26-22-8-4-7-21(24(22)27)25(31)19(16-28)15-17-9-11-20(12-10-17)30-14-13-23(29-30)18-5-2-1-3-6-18/h1-15H/b19-15+