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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-cyanophenyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 5-(2-cyanophenyl)-1-methyl-N-quinuclidin-3-yl-pyrrole-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-cyanophenyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-cyanophenyl)-1-methylpyrrole-2-carboxamide Traditional Name: 5-(2-cyanophenyl)-1-methyl-N-quinuclidin-3-yl-pyrrole-2-carboxamide Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)NC2CN3CCC2CC3)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C(=CC=C1C(=O)NC2CN3CCC2CC3)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H22N4O/c1-23-18(16-5-3-2-4-15(16)12-21)6-7-19(23)20(25)22-17-13-24-10-8-14(17)9-11-24/h2-7,14,17H,8-11,13H2,1H3,(H,22,25)