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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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