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

Systemtic Name: 1-azanyl-3-(4-methoxyphenyl)-6-oxidanylidene-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 1-amino-3-(4-methoxyphenyl)-6-oxo-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 1-amino-3-(4-methoxyphenyl)-6-oxo-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 1-amino-3-(4-methoxyphenyl)-6-oxo-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 1-amino-6-keto-3-(4-methoxyphenyl)-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3(CC(C2(C#N)C#N)(C(=O)N3)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3(CC(C2(C#N)C#N)(C(=O)N3)C#N)N

InChI

InChI=1S/C17H15N5O2/c1-24-12-4-2-11(3-5-12)13-6-17(21)7-15(8-18,14(23)22-17)16(13,9-19)10-20/h2-5,13H,6-7,21H2,1H3,(H,22,23)