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

Systemtic Name: 7-azanylidene-3-heptan-3-yl-8-methyl-5-(4-methylphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(1-ethylpentyl)-7-imino-8-methyl-5-(p-tolyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-heptan-3-yl-7-imino-8-methyl-5-(4-methylphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-heptan-3-yl-7-imino-8-methyl-5-(4-methylphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(1-ethylpentyl)-7-imino-8-methyl-5-(p-tolyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)C)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCC(CC)C1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)C)C)C#N)(C#N)C#N

InChI

InChI=1S/C24H28N4O2/c1-5-7-8-18(6-2)20-22(13-25,14-26)23(15-27)17(4)24(29-20,30-21(23)28)19-11-9-16(3)10-12-19/h9-12,17-18,20,28H,5-8H2,1-4H3