4-[[3-[diethylamino(phenyl)methyl]-2-oxidanylidene-cyclooctyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[diethylamino(phenyl)methyl]-2-oxidanylidene-cyclooctyl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[diethylamino(phenyl)methyl]-2-oxo-cyclooctyl]methyl]benzonitrile CAS Name: 4-[[3-[diethylamino(phenyl)methyl]-2-oxocyclooctyl]methyl]benzonitrile IUPAC Name: 4-[[3-[diethylamino(phenyl)methyl]-2-oxocyclooctyl]methyl]benzonitrile Traditional Name: 4-[[3-[diethylamino(phenyl)methyl]-2-keto-cyclooctyl]methyl]benzonitrile Formula: C27H34N2O MolecularWeight: 402.57166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1CCCCCC(C1=O)CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(C1CCCCCC(C1=O)CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O/c1-3-29(4-2)26(23-11-7-5-8-12-23)25-14-10-6-9-13-24(27(25)30)19-21-15-17-22(20-28)18-16-21/h5,7-8,11-12,15-18,24-26H,3-4,6,9-10,13-14,19H2,1-2H3