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

Systemtic Name: 6-azanylidene-8-(2-methoxyphenyl)-1-methyl-3-pyridin-4-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-(4-pyridyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-pyridin-4-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-pyridin-4-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-(4-pyridyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=NC=C3)(C#N)C#N)C#N)C4=CC=CC=C4OC

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=NC=C3)(C#N)C#N)C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C22H17N5O3/c1-20-17(15-5-3-4-6-16(15)28-2)22(13-25,19(26)30-20)21(11-23,12-24)18(29-20)14-7-9-27-10-8-14/h3-10,17-18,26H,1-2H3