2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-4-phenyl-butanenitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-4-phenyl-butanenitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]-4-oxo-4-phenyl-butanenitrile CAS Name: 2-[2-(1-adamantyl)-2-oxoethyl]-4-oxo-4-phenylbutanenitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]-4-oxo-4-phenylbutanenitrile Traditional Name: 2-[2-(1-adamantyl)-2-keto-ethyl]-4-keto-4-phenyl-butyronitrile Formula: C22H25NO2 MolecularWeight: 335.4394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2/c23-14-18(9-20(24)19-4-2-1-3-5-19)10-21(25)22-11-15-6-16(12-22)8-17(7-15)13-22/h1-5,15-18H,6-13H2