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

Systemtic Name: 3-[3-bromanyl-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-pentyl-phthalonitrile CAS Name: 3-[3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[3-bromo-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)-3-bromo-phenyl]phthalonitrile Formula: C32H39BrN2 MolecularWeight: 531.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C2=CC(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)Br)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C2=CC(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)Br)C#N)C#N

InChI

InChI=1S/C32H39BrN2/c1-3-5-7-9-24-10-12-26(28(23-35)27(24)22-34)25-11-13-29(30(33)21-25)32-18-15-31(16-19-32,17-20-32)14-8-6-4-2/h10-13,21H,3-9,14-20H2,1-2H3