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

Systemtic Name: 2-[(1S,3R)-5-bromanyl-2-(phenylmethyl)-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-2-benzyl-5-bromo-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-5-bromo-2-(phenylmethyl)-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-2-benzyl-5-bromo-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-2-benzyl-5-bromo-2-adamantyl]malononitrile Formula: C20H21BrN2 MolecularWeight: 369.29814

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(CC4=CC=CC=C4)C(C#N)C#N)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2(CC4=CC=CC=C4)C(C#N)C#N)CC1C3)Br

InChI

InChI=1S/C20H21BrN2/c21-19-8-15-6-16(10-19)20(17(7-15)11-19,18(12-22)13-23)9-14-4-2-1-3-5-14/h1-5,15-18H,6-11H2/t15?,16-,17+,19?,20?