3-(4-methoxyphenyl)-5-oxidanyl-7-oxidanylidene-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 3-(4-methoxyphenyl)-5-oxidanyl-7-oxidanylidene-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-hydroxy-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-hydroxy-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-hydroxy-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-hydroxy-7-keto-3-(4-methoxyphenyl)-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O3/c1-3-4-15-16(13-5-7-14(27-2)8-6-13)19(11-22,12-23)18(10-21)9-20(15,26)24-17(18)25/h5-8,15-16,26H,3-4,9H2,1-2H3,(H,24,25)