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

Systemtic Name: 6-azanylidene-1-methyl-3-(phenylmethyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-benzyl-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-(phenylmethyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-benzyl-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-benzyl-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)CC3=CC=CC=C3)C

Isomeric SMILES

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O2/c1-3-7-15-18(2)25-16(10-14-8-5-4-6-9-14)19(11-21,12-22)20(15,13-23)17(24)26-18/h4-6,8-9,15-16,24H,3,7,10H2,1-2H3