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

Systemtic Name: 3-[[3-[diethylamino(phenyl)methyl]-2-oxidanylidene-cyclooctyl]-methoxy-methyl]benzenecarbonitrile Openeye Name: 3-[[3-[diethylamino(phenyl)methyl]-2-oxo-cyclooctyl]-methoxy-methyl]benzonitrile CAS Name: 3-[[3-[diethylamino(phenyl)methyl]-2-oxocyclooctyl]-methoxymethyl]benzonitrile IUPAC Name: 3-[[3-[diethylamino(phenyl)methyl]-2-oxocyclooctyl]-methoxymethyl]benzonitrile Traditional Name: 3-[[3-[diethylamino(phenyl)methyl]-2-keto-cyclooctyl]-methoxy-methyl]benzonitrile Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O2/c1-4-30(5-2)26(22-14-8-6-9-15-22)24-17-10-7-11-18-25(27(24)31)28(32-3)23-16-12-13-21(19-23)20-29/h6,8-9,12-16,19,24-26,28H,4-5,7,10-11,17-18H2,1-3H3