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

Systemtic Name: 2-[[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-chloro-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]methylidene]propanedinitrile Traditional Name: 2-[4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-chloro-benzylidene]malononitrile Formula: C33H29ClN2O MolecularWeight: 505.04916

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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)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)C=C(C#N)C#N)Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C33H29ClN2O/c34-31-14-23(10-27(19-35)20-36)6-8-29(31)28-7-9-32(37-21-22-4-2-1-3-5-22)30(15-28)33-16-24-11-25(17-33)13-26(12-24)18-33/h1-10,14-15,24-26H,11-13,16-18,21H2