4-[4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(1-adamantyl)-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-(1-adamantyl)-2-keto-ethoxy]phenyl]benzonitrile Formula: C25H25NO2 MolecularWeight: 371.4715

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H25NO2/c26-15-17-1-3-21(4-2-17)22-5-7-23(8-6-22)28-16-24(27)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-8,18-20H,9-14,16H2