(3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: (3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: (3E,5E)-3,5-bis[(2-fluorophenyl)methylene]-4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: (3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]-4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: (3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: (3E,5E)-3,5-bis(2-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=C2F)C(=O)C(=CC3=CC=CC=C3F)CC1(C#N)C4=CC=CC=C4

Isomeric SMILES

C\1C(C/C(=C\C2=CC=CC=C2F)/C(=O)/C1=C/C3=CC=CC=C3F)(C4=CC=CC=C4)C#N

InChI

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