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

Systemtic Name: 6-azanylidene-3-heptan-3-yl-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(1-ethylpentyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-heptan-3-yl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-heptan-3-yl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(1-ethylpentyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-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)C)C3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

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

InChI

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