6-[(1S,4R)-3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-[(1S,4R)-3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl]pyridine-3-carboxamide Openeye Name: 6-[(1S,4R)-3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl]pyridine-3-carboxamide CAS Name: 6-[(1S,4R)-3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl]-3-pyridinecarboxamide IUPAC Name: 6-[(1S,4R)-3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl]pyridine-3-carboxamide Traditional Name: 6-[(1S,4R)-3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl]nicotinamide Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC1N(O2)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

C1C[C@@H]2C=C[C@H]1N(O2)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C12H13N3O2/c13-12(16)8-1-6-11(14-7-8)15-9-2-4-10(17-15)5-3-9/h1-2,4,6-7,9-10H,3,5H2,(H2,13,16)/t9-,10+/m1/s1