(2E)-2-(phenanthridin-6-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: (2E)-2-(phenanthridin-6-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one Openeye Name: (2E)-2-(phenanthridin-6-ylmethylene)quinuclidin-3-one CAS Name: (2E)-2-(6-phenanthridinylmethylidene)-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: (2E)-2-(phenanthridin-6-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one Traditional Name: (2E)-2-(phenanthridin-6-ylmethylene)quinuclidin-3-one Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2=CC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

C1CN\2CCC1C(=O)/C2=C\C3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C21H18N2O/c24-21-14-9-11-23(12-10-14)20(21)13-19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)22-19/h1-8,13-14H,9-12H2/b20-13+