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

Systemtic Name: (3E,5E)-3,5-bis[(3-methylphenyl)methylidene]-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: (3E,5E)-3,5-bis(m-tolylmethylene)-4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: (3E,5E)-3,5-bis[(3-methylphenyl)methylidene]-4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: (3E,5E)-3,5-bis[(3-methylphenyl)methylidene]-4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: (3E,5E)-4-keto-3,5-bis(3-methylbenzylidene)-1-phenyl-cyclohexanecarbonitrile Formula: C29H25NO MolecularWeight: 403.5149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2CC(CC(=CC3=CC(=CC=C3)C)C2=O)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=CC=C3)C)/CC(C2)(C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H25NO/c1-21-8-6-10-23(14-21)16-25-18-29(20-30,27-12-4-3-5-13-27)19-26(28(25)31)17-24-11-7-9-22(2)15-24/h3-17H,18-19H2,1-2H3/b25-16+,26-17+