N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-5-(3-nitrophenyl)pyrrole-2-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-5-(3-nitrophenyl)pyrrole-2-carboxamide Openeye Name: 1-methyl-5-(3-nitrophenyl)-N-quinuclidin-3-yl-pyrrole-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-5-(3-nitrophenyl)-2-pyrrolecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methyl-5-(3-nitrophenyl)pyrrole-2-carboxamide Traditional Name: 1-methyl-5-(3-nitrophenyl)-N-quinuclidin-3-yl-pyrrole-2-carboxamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)NC2CN3CCC2CC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC=C1C(=O)NC2CN3CCC2CC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-21-17(14-3-2-4-15(11-14)23(25)26)5-6-18(21)19(24)20-16-12-22-9-7-13(16)8-10-22/h2-6,11,13,16H,7-10,12H2,1H3,(H,20,24)