3-[(3S,5R)-3,5-dimethyl-1-adamantyl]-2-oxidanylidene-propanenitrile

Systemtic Name: 3-[(3S,5R)-3,5-dimethyl-1-adamantyl]-2-oxidanylidene-propanenitrile Openeye Name: 2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetyl cyanide CAS Name: 3-[(3S,5R)-3,5-dimethyl-1-adamantyl]-2-oxopropanenitrile IUPAC Name: 2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetyl cyanide Traditional Name: 3-[(3S,5R)-3,5-dimethyl-1-adamantyl]-2-keto-propionitrile Formula: C15H21NO MolecularWeight: 231.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)C#N)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)CC(=O)C#N)C

InChI

InChI=1S/C15H21NO/c1-13-3-11-4-14(2,8-13)10-15(5-11,9-13)6-12(17)7-16/h11H,3-6,8-10H2,1-2H3/t11?,13-,14+,15?