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

Systemtic Name: 2-[(1S,3R)-2-ethyl-5-phenyl-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-2-ethyl-5-phenyl-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-2-ethyl-5-phenyl-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-2-ethyl-5-phenyl-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-2-ethyl-5-phenyl-2-adamantyl]malononitrile Formula: C21H24N2 MolecularWeight: 304.42866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CC3CC1CC(C3)(C2)C4=CC=CC=C4)C(C#N)C#N

Isomeric SMILES

CCC1([C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=CC=C4)C(C#N)C#N

InChI

InChI=1S/C21H24N2/c1-2-21(19(13-22)14-23)17-8-15-9-18(21)12-20(10-15,11-17)16-6-4-3-5-7-16/h3-7,15,17-19H,2,8-12H2,1H3/t15?,17-,18+,20?,21?