N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-1H-indol-3-yl)-N-quinuclidin-3-yl-quinoline-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-1H-indol-3-yl)-N-quinuclidin-3-yl-cinchoninamide Formula: C25H23BrN4O MolecularWeight: 475.38032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CNC6=C5C=C(C=C6)Br

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CNC6=C5C=C(C=C6)Br

InChI

InChI=1S/C25H23BrN4O/c26-16-5-6-21-18(11-16)20(13-27-21)23-12-19(17-3-1-2-4-22(17)28-23)25(31)29-24-14-30-9-7-15(24)8-10-30/h1-6,11-13,15,24,27H,7-10,14H2,(H,29,31)