6-azanylidene-1-methyl-3-pentyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-1-methyl-3-pentyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 6-imino-1-methyl-3-pentyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-pentyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-1-methyl-3-pentyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-amyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCCC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C21H22N4O2/c1-3-4-6-11-16-20(12-22,13-23)21(14-24)17(15-9-7-5-8-10-15)19(2,26-16)27-18(21)25/h5,7-10,16-17,25H,3-4,6,11H2,1-2H3