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

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

Systemtic Name:2-[(1S,3R)-5-phenyl-2-(phenylmethyl)-2-adamantyl]propanedinitrile
Openeye Name:2-[(1S,3R)-2-benzyl-5-phenyl-2-adamantyl]propanedinitrile
CAS Name:2-[(1S,3R)-5-phenyl-2-(phenylmethyl)-2-adamantyl]propanedinitrile
IUPAC Name:2-[(1S,3R)-2-benzyl-5-phenyl-2-adamantyl]propanedinitrile
Traditional Name:2-[(1S,3R)-2-benzyl-5-phenyl-2-adamantyl]malononitrile
Formula: C26H26N2
MolecularWeight: 366.49804
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(CC4=CC=CC=C4)C(C#N)C#N)C5=CC=CC=C5


Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2(CC4=CC=CC=C4)C(C#N)C#N)CC1C3)C5=CC=CC=C5


InChI

InChI=1S/C26H26N2/c27-17-24(18-28)26(14-19-7-3-1-4-8-19)22-11-20-12-23(26)16-25(13-20,15-22)21-9-5-2-6-10-21/h1-10,20,22-24H,11-16H2/t20?,22-,23+,25?,26?


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