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

Systemtic Name: 6-azanylidene-3-heptyl-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-3-heptyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-heptyl-6-imino-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-3-heptyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-3-heptyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C24H28N4O2 MolecularWeight: 404.50472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C24H28N4O2/c1-3-4-5-6-10-13-20-23(15-25,16-26)24(17-27)19(14-18-11-8-7-9-12-18)22(2,29-20)30-21(24)28/h7-9,11-12,19-20,28H,3-6,10,13-14H2,1-2H3