2-(benzotriazol-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 2-(benzotriazol-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 2-(benzotriazol-1-ylmethyl)quinuclidin-3-one CAS Name: 2-(1-benzotriazolylmethyl)-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 2-(benzotriazol-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 2-(benzotriazol-1-ylmethyl)quinuclidin-3-one Formula: C14H16N4O MolecularWeight: 256.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN2CCC1C(=O)C2CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H16N4O/c19-14-10-5-7-17(8-6-10)13(14)9-18-12-4-2-1-3-11(12)15-16-18/h1-4,10,13H,5-9H2