2-[(4-chlorophenyl)-[(3R,5S)-4-oxidanylidene-1-adamantyl]methyl]propanedinitrile

Systemtic Name: 2-[(4-chlorophenyl)-[(3R,5S)-4-oxidanylidene-1-adamantyl]methyl]propanedinitrile Openeye Name: 2-[(4-chlorophenyl)-[(3R,5S)-4-oxo-1-adamantyl]methyl]propanedinitrile CAS Name: 2-[(4-chlorophenyl)-[(3R,5S)-4-oxo-1-adamantyl]methyl]propanedinitrile IUPAC Name: 2-[(4-chlorophenyl)-[(3R,5S)-4-oxo-1-adamantyl]methyl]propanedinitrile Traditional Name: 2-[(4-chlorophenyl)-[(3R,5S)-4-keto-1-adamantyl]methyl]malononitrile Formula: C20H19ClN2O MolecularWeight: 338.83066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=O)C(C4=CC=C(C=C4)Cl)C(C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O/c21-17-3-1-13(2-4-17)18(16(10-22)11-23)20-7-12-5-14(8-20)19(24)15(6-12)9-20/h1-4,12,14-16,18H,5-9H2/t12?,14-,15+,18?,20?