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

Systemtic Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]ethanenitrile Openeye Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]acetonitrile CAS Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]acetonitrile IUPAC Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]acetonitrile Traditional Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]acetonitrile Formula: C14H21N MolecularWeight: 203.32324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3,5-10H2,1-2H3/t11?,12-,13+,14?