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

Systemtic Name: 2-[(1S,3R)-2-methyl-5-phenyl-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-2-methyl-5-phenyl-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-2-methyl-5-phenyl-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-2-methyl-5-phenyl-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-2-methyl-5-phenyl-2-adamantyl]malononitrile Formula: C20H22N2 MolecularWeight: 290.40208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC1CC(C3)(C2)C4=CC=CC=C4)C(C#N)C#N

Isomeric SMILES

CC1([C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=CC=C4)C(C#N)C#N

InChI

InChI=1S/C20H22N2/c1-19(18(12-21)13-22)16-7-14-8-17(19)11-20(9-14,10-16)15-5-3-2-4-6-15/h2-6,14,16-18H,7-11H2,1H3/t14?,16-,17+,19?,20?