3,6-bis(6-imidazol-1-ylhexyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-bis(6-imidazol-1-ylhexyl)benzene-1,2-dicarbonitrile Openeye Name: 3,6-bis(6-imidazol-1-ylhexyl)phthalonitrile CAS Name: 3,6-bis[6-(1-imidazolyl)hexyl]benzene-1,2-dicarbonitrile IUPAC Name: 3,6-bis(6-imidazol-1-ylhexyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-bis(6-imidazol-1-ylhexyl)phthalonitrile Formula: C26H32N6 MolecularWeight: 428.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCCCCN2C=CN=C2)C#N)C#N)CCCCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=C(C(=C1CCCCCCN2C=CN=C2)C#N)C#N)CCCCCCN3C=CN=C3

InChI

InChI=1S/C26H32N6/c27-19-25-23(9-5-1-3-7-15-31-17-13-29-21-31)11-12-24(26(25)20-28)10-6-2-4-8-16-32-18-14-30-22-32/h11-14,17-18,21-22H,1-10,15-16H2