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

Systemtic Name: 3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-bis(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C30H40N2 MolecularWeight: 428.652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C45CCC(CC4)(CC5)CCC)C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C45CCC(CC4)(CC5)CCC)C#N)C#N

InChI

InChI=1S/C30H40N2/c1-3-7-27-9-15-29(16-10-27,17-11-27)25-5-6-26(24(22-32)23(25)21-31)30-18-12-28(8-4-2,13-19-30)14-20-30/h5-6H,3-4,7-20H2,1-2H3