3-propyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-propyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-propyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phthalonitrile CAS Name: 3-propyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-propyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-propyl-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phthalonitrile Formula: C28H32N2 MolecularWeight: 396.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N

InChI

InChI=1S/C28H32N2/c1-3-5-21-8-11-24(26(20-30)25(21)19-29)22-6-9-23(10-7-22)28-16-13-27(12-4-2,14-17-28)15-18-28/h6-11H,3-5,12-18H2,1-2H3