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

Systemtic Name: 3-(3-cyano-4-propyl-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(3-cyano-4-propyl-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(3-cyano-4-propylphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(3-cyano-4-propylphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-(3-cyano-4-propyl-phenyl)phthalonitrile Formula: C31H35N3 MolecularWeight: 449.6297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC(=C(C=C4)CCC)C#N)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC(=C(C=C4)CCC)C#N)C#N)C#N

InChI

InChI=1S/C31H35N3/c1-3-5-6-12-30-13-16-31(17-14-30,18-15-30)29-11-10-26(27(21-33)28(29)22-34)24-9-8-23(7-4-2)25(19-24)20-32/h8-11,19H,3-7,12-18H2,1-2H3