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

Systemtic Name: 2-[(1S,3R)-5-bromanyl-2-methyl-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-5-bromo-2-methyl-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-5-bromo-2-methyl-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-5-bromo-2-methyl-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-5-bromo-2-methyl-2-adamantyl]malononitrile Formula: C14H17BrN2 MolecularWeight: 293.20218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC1CC(C3)(C2)Br)C(C#N)C#N

Isomeric SMILES

CC1([C@@H]2CC3C[C@H]1CC(C2)(C3)Br)C(C#N)C#N

InChI

InChI=1S/C14H17BrN2/c1-13(12(7-16)8-17)10-2-9-3-11(13)6-14(15,4-9)5-10/h9-12H,2-6H2,1H3/t9?,10-,11+,13?,14?