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

Systemtic Name: 2-[(1S,3R)-5-bromanyl-2-propan-2-yl-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-5-bromo-2-isopropyl-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-5-bromo-2-propan-2-yl-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-5-bromo-2-propan-2-yl-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-5-bromo-2-isopropyl-2-adamantyl]malononitrile Formula: C16H21BrN2 MolecularWeight: 321.25534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2CC3CC1CC(C3)(C2)Br)C(C#N)C#N

Isomeric SMILES

CC(C)C1([C@@H]2CC3C[C@H]1CC(C2)(C3)Br)C(C#N)C#N

InChI

InChI=1S/C16H21BrN2/c1-10(2)16(14(8-18)9-19)12-3-11-4-13(16)7-15(17,5-11)6-12/h10-14H,3-7H2,1-2H3/t11?,12-,13+,15?,16?