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

Systemtic Name: 6-azanylidene-8-(2-methoxyphenyl)-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 6-imino-8-(2-methoxyphenyl)-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)CCC3=CC=CC=C3)(C#N)C#N)C#N)C4=CC=CC=C4OC

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)CCC3=CC=CC=C3)(C#N)C#N)C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C25H22N4O3/c1-23-21(18-10-6-7-11-19(18)30-2)25(16-28,22(29)32-23)24(14-26,15-27)20(31-23)13-12-17-8-4-3-5-9-17/h3-11,20-21,29H,12-13H2,1-2H3