4-[4-fluoranyl-4-(oxan-2-yloxy)-1-adamantyl]-2,4-dimethyl-hexanenitrile

Systemtic Name: 4-[4-fluoranyl-4-(oxan-2-yloxy)-1-adamantyl]-2,4-dimethyl-hexanenitrile Openeye Name: 4-(4-fluoro-4-tetrahydropyran-2-yloxy-1-adamantyl)-2,4-dimethyl-hexanenitrile CAS Name: 4-[4-fluoro-4-(2-oxanyloxy)-1-adamantyl]-2,4-dimethylhexanenitrile IUPAC Name: 4-[4-fluoro-4-(oxan-2-yloxy)-1-adamantyl]-2,4-dimethylhexanenitrile Traditional Name: 4-(4-fluoro-4-tetrahydropyran-2-yloxy-1-adamantyl)-2,4-dimethyl-hexanenitrile Formula: C23H36FNO2 MolecularWeight: 377.535843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)C#N)C12CC3CC(C1)C(C(C3)C2)(OC4CCCCO4)F

Isomeric SMILES

CCC(C)(CC(C)C#N)C12CC3CC(C1)C(C(C3)C2)(OC4CCCCO4)F

InChI

InChI=1S/C23H36FNO2/c1-4-21(3,11-16(2)15-25)22-12-17-9-18(13-22)23(24,19(10-17)14-22)27-20-7-5-6-8-26-20/h16-20H,4-14H2,1-3H3