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

Systemtic Name: 6-azanylidene-1-methyl-8-(phenylmethyl)-3-pyridin-3-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-6-imino-1-methyl-3-(3-pyridyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-8-(phenylmethyl)-3-(3-pyridinyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-6-imino-1-methyl-3-pyridin-3-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-6-imino-1-methyl-3-(3-pyridyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)C3=CN=CC=C3)(C#N)C#N)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)C3=CN=CC=C3)(C#N)C#N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2/c1-20-17(10-15-6-3-2-4-7-15)22(14-25,19(26)29-20)21(12-23,13-24)18(28-20)16-8-5-9-27-11-16/h2-9,11,17-18,26H,10H2,1H3