(3E,5E)-3,5-bis[(3-fluorophenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: (3E,5E)-3,5-bis[(3-fluorophenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: (3E,5E)-3,5-bis[(3-fluorophenyl)methylene]-4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: (3E,5E)-3,5-bis[(3-fluorophenyl)methylidene]-4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: (3E,5E)-3,5-bis[(3-fluorophenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: (3E,5E)-3,5-bis(3-fluorobenzylidene)-4-keto-1-phenyl-cyclohexanecarbonitrile Formula: C27H19F2NO MolecularWeight: 411.442666

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC(=CC=C2)F)C(=O)C(=CC3=CC(=CC=C3)F)CC1(C#N)C4=CC=CC=C4

Isomeric SMILES

C\1C(C/C(=C\C2=CC(=CC=C2)F)/C(=O)/C1=C/C3=CC(=CC=C3)F)(C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H19F2NO/c28-24-10-4-6-19(14-24)12-21-16-27(18-30,23-8-2-1-3-9-23)17-22(26(21)31)13-20-7-5-11-25(29)15-20/h1-15H,16-17H2/b21-12+,22-13+