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

Systemtic Name: 2-[(1S,3R)-5-phenyl-2-propan-2-yl-2-adamantyl]propanedinitrile Openeye Name: 2-[(1S,3R)-2-isopropyl-5-phenyl-2-adamantyl]propanedinitrile CAS Name: 2-[(1S,3R)-5-phenyl-2-propan-2-yl-2-adamantyl]propanedinitrile IUPAC Name: 2-[(1S,3R)-5-phenyl-2-propan-2-yl-2-adamantyl]propanedinitrile Traditional Name: 2-[(1S,3R)-2-isopropyl-5-phenyl-2-adamantyl]malononitrile Formula: C22H26N2 MolecularWeight: 318.45524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2CC3CC1CC(C3)(C2)C4=CC=CC=C4)C(C#N)C#N

Isomeric SMILES

CC(C)C1([C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=CC=C4)C(C#N)C#N

InChI

InChI=1S/C22H26N2/c1-15(2)22(20(13-23)14-24)18-8-16-9-19(22)12-21(10-16,11-18)17-6-4-3-5-7-17/h3-7,15-16,18-20H,8-12H2,1-2H3/t16?,18-,19+,21?,22?