2-[[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-chloranyl-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-chloranyl-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chlorophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chlorophenyl]methylidene]propanedinitrile Traditional Name: 2-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-benzylidene]malononitrile Formula: C26H23ClN2O MolecularWeight: 414.92662

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)C=C(C#N)C#N)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)C=C(C#N)C#N)Cl)O

InChI

InChI=1S/C26H23ClN2O/c27-24-9-16(5-20(14-28)15-29)1-3-22(24)21-2-4-25(30)23(10-21)26-11-17-6-18(12-26)8-19(7-17)13-26/h1-5,9-10,17-19,30H,6-8,11-13H2