4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6-fluoranyl-7-pyrrolidin-1-yl-1H-quinolin-2-one

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6-fluoranyl-7-pyrrolidin-1-yl-1H-quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-7-pyrrolidin-1-yl-4-(quinuclidin-3-ylamino)-1H-quinolin-2-one CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6-fluoro-7-(1-pyrrolidinyl)-1H-quinolin-2-one IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6-fluoro-7-pyrrolidin-1-yl-1H-quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-7-pyrrolidino-4-(quinuclidin-3-ylamino)carbostyril Formula: C27H29FN6O MolecularWeight: 472.557163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C3C(=C2)NC(=O)C(=C3NC4CN5CCC4CC5)C6=NC7=CC=CC=C7N6)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C3C(=C2)NC(=O)C(=C3NC4CN5CCC4CC5)C6=NC7=CC=CC=C7N6)F

InChI

InChI=1S/C27H29FN6O/c28-18-13-17-21(14-23(18)34-9-3-4-10-34)32-27(35)24(26-30-19-5-1-2-6-20(19)31-26)25(17)29-22-15-33-11-7-16(22)8-12-33/h1-2,5-6,13-14,16,22H,3-4,7-12,15H2,(H,30,31)(H2,29,32,35)