2-[2-[3,4-diethyl-6-(iodanylmethyl)cyclohex-3-en-1-yl]-1-phenyl-ethyl]propanedinitrile

Systemtic Name: 2-[2-[3,4-diethyl-6-(iodanylmethyl)cyclohex-3-en-1-yl]-1-phenyl-ethyl]propanedinitrile Openeye Name: 2-[2-[3,4-diethyl-6-(iodomethyl)cyclohex-3-en-1-yl]-1-phenyl-ethyl]propanedinitrile CAS Name: 2-[2-[3,4-diethyl-6-(iodomethyl)-1-cyclohex-3-enyl]-1-phenylethyl]propanedinitrile IUPAC Name: 2-[2-[3,4-diethyl-6-(iodomethyl)cyclohex-3-en-1-yl]-1-phenylethyl]propanedinitrile Traditional Name: 2-[2-[3,4-diethyl-6-(iodomethyl)cyclohex-3-en-1-yl]-1-phenyl-ethyl]malononitrile Formula: C22H27IN2 MolecularWeight: 446.36765

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC(C(C1)CC(C2=CC=CC=C2)C(C#N)C#N)CI)CC

Isomeric SMILES

CCC1=C(CC(C(C1)CC(C2=CC=CC=C2)C(C#N)C#N)CI)CC

InChI

InChI=1S/C22H27IN2/c1-3-16-10-19(20(13-23)11-17(16)4-2)12-22(21(14-24)15-25)18-8-6-5-7-9-18/h5-9,19-22H,3-4,10-13H2,1-2H3