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

Systemtic Name: 6-azanylidene-3-heptyl-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-heptyl-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-heptyl-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-heptyl-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-heptyl-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-4-5-6-7-8-9-19-23(14-25,15-26)24(16-27)20(22(2,30-19)31-21(24)28)17-10-12-18(29-3)13-11-17/h10-13,19-20,28H,4-9H2,1-3H3