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

Systemtic Name: (3E,5E)-3,5-bis[(3-cyanophenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: (3E,5E)-3,5-bis[(3-cyanophenyl)methylene]-4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: (3E,5E)-3,5-bis[(3-cyanophenyl)methylidene]-4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: (3E,5E)-3,5-bis[(3-cyanophenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: (3E,5E)-3,5-bis(3-cyanobenzylidene)-4-keto-1-phenyl-cyclohexanecarbonitrile Formula: C29H19N3O MolecularWeight: 425.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H19N3O/c30-18-23-8-4-6-21(12-23)14-25-16-29(20-32,27-10-2-1-3-11-27)17-26(28(25)33)15-22-7-5-9-24(13-22)19-31/h1-15H,16-17H2/b25-14+,26-15+