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

Systemtic Name: 6-azanylidene-1-methyl-3-phenethyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-6-imino-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-phenethyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-6-imino-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-6-imino-1-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C25H22N4O2 MolecularWeight: 410.46778

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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)CC4=CC=CC=C4

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)CCC3=CC=CC=C3)(C#N)C#N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2/c1-23-20(14-19-10-6-3-7-11-19)25(17-28,22(29)31-23)24(15-26,16-27)21(30-23)13-12-18-8-4-2-5-9-18/h2-11,20-21,29H,12-14H2,1H3