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

Systemtic Name: 7-azanylidene-3-heptan-3-yl-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(1-ethylpentyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-heptan-3-yl-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-heptan-3-yl-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(1-ethylpentyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-4-6-10-17(5-2)19-21(13-24,14-25)22(15-26)16(3)23(28-19,29-20(22)27)18-11-8-7-9-12-18/h7-9,11-12,16-17,19,27H,4-6,10H2,1-3H3