6-(5-ethynylpyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Systemtic Name: 6-(5-ethynylpyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate Openeye Name: 6-(5-ethynyl-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate CAS Name: 6-(5-ethynyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate IUPAC Name: 6-(5-ethynylpyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate Traditional Name: 6-(5-ethynyl-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate Formula: C13H12N3O2- MolecularWeight: 242.25328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CN=C1)N2CC3C2CN(C3)C(=O)[O-]

Isomeric SMILES

C#CC1=CC(=CN=C1)N2CC3C2CN(C3)C(=O)[O-]

InChI

InChI=1S/C13H13N3O2/c1-2-9-3-11(5-14-4-9)16-7-10-6-15(13(17)18)8-12(10)16/h1,3-5,10,12H,6-8H2,(H,17,18)/p-1