2-[(1S,3R)-5-bromanyl-2-adamantyl]propanedinitrile

Systemtic Name: 2-[(1S,3R)-5-bromanyl-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-5-bromo-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-5-bromo-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-5-bromo-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-5-bromo-2-adamantyl]malononitrile Formula: C13H15BrN2 MolecularWeight: 279.1756

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3C(C#N)C#N)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2C(C#N)C#N)CC1C3)Br

InChI

InChI=1S/C13H15BrN2/c14-13-3-8-1-9(4-13)12(10(2-8)5-13)11(6-15)7-16/h8-12H,1-5H2/t8?,9-,10+,12?,13?