4-[(E)-[(3E)-3-[(4-iodophenyl)methylidene]-2-oxidanylidene-cycloheptylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-[(3E)-3-[(4-iodophenyl)methylidene]-2-oxidanylidene-cycloheptylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(E)-[(3E)-3-[(4-iodophenyl)methylene]-2-oxo-cycloheptylidene]methyl]benzonitrile CAS Name: 4-[(E)-[(3E)-3-[(4-iodophenyl)methylidene]-2-oxocycloheptylidene]methyl]benzonitrile IUPAC Name: 4-[(E)-[(3E)-3-[(4-iodophenyl)methylidene]-2-oxocycloheptylidene]methyl]benzonitrile Traditional Name: 4-[(E)-[(3E)-3-(4-iodobenzylidene)-2-keto-cycloheptylidene]methyl]benzonitrile Formula: C22H18INO MolecularWeight: 439.28889

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC2=CC=C(C=C2)I)C(=O)C(=CC3=CC=C(C=C3)C#N)C1

Isomeric SMILES

C1CC/C(=C\C2=CC=C(C=C2)I)/C(=O)/C(=C/C3=CC=C(C=C3)C#N)/C1

InChI

InChI=1S/C22H18INO/c23-21-11-9-17(10-12-21)14-20-4-2-1-3-19(22(20)25)13-16-5-7-18(15-24)8-6-16/h5-14H,1-4H2/b19-13+,20-14+