6-azanylidene-3-hexyl-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-3-hexyl-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-hexyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-hexyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-hexyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-hexyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C22H24N4O2/c1-3-4-5-9-12-17-21(13-23,14-24)22(15-25)18(16-10-7-6-8-11-16)20(2,27-17)28-19(22)26/h6-8,10-11,17-18,26H,3-5,9,12H2,1-2H3