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

Systemtic Name: 2-[(1S,3R)-5-bromanyl-2-ethyl-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-5-bromo-2-ethyl-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-5-bromo-2-ethyl-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-5-bromo-2-ethyl-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-5-bromo-2-ethyl-2-adamantyl]malononitrile Formula: C15H19BrN2 MolecularWeight: 307.22876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CC3CC1CC(C3)(C2)Br)C(C#N)C#N

Isomeric SMILES

CCC1([C@@H]2CC3C[C@H]1CC(C2)(C3)Br)C(C#N)C#N

InChI

InChI=1S/C15H19BrN2/c1-2-15(13(8-17)9-18)11-3-10-4-12(15)7-14(16,5-10)6-11/h10-13H,2-7H2,1H3/t10?,11-,12+,14?,15?