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

Systemtic Name: 2-[2-[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]-1-phenyl-ethyl]propanedinitrile Openeye Name: 2-[2-[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]-1-phenyl-ethyl]propanedinitrile CAS Name: 2-[2-[(1S,6R)-3,4-diethyl-6-methyl-1-cyclohex-3-enyl]-1-phenylethyl]propanedinitrile IUPAC Name: 2-[2-[(1S,6R)-3,4-diethyl-6-methylcyclohex-3-en-1-yl]-1-phenylethyl]propanedinitrile Traditional Name: 2-[2-[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]-1-phenyl-ethyl]malononitrile Formula: C22H28N2 MolecularWeight: 320.47112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C[C@@H]([C@@H](C1)C)CC(C2=CC=CC=C2)C(C#N)C#N)CC

InChI

InChI=1S/C22H28N2/c1-4-17-11-16(3)20(12-18(17)5-2)13-22(21(14-23)15-24)19-9-7-6-8-10-19/h6-10,16,20-22H,4-5,11-13H2,1-3H3/t16-,20-,22?/m1/s1