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

Systemtic Name: 6-azanylidene-3-hexyl-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-3-hexyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-hexyl-6-imino-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-3-hexyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-3-hexyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C23H26N4O2/c1-3-4-5-9-12-19-22(14-24,15-25)23(16-26)18(13-17-10-7-6-8-11-17)21(2,28-19)29-20(23)27/h6-8,10-11,18-19,27H,3-5,9,12-13H2,1-2H3