4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6-fluoranyl-7-piperidin-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-piperidin-1-yl-1H-quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(1-piperidyl)-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-piperidinyl)-1H-quinolin-2-one IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6-fluoro-7-piperidin-1-yl-1H-quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-7-piperidino-4-(quinuclidin-3-ylamino)carbostyril Formula: C28H31FN6O MolecularWeight: 486.583743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C3C(=C2)NC(=O)C(=C3NC4CN5CCC4CC5)C6=NC7=CC=CC=C7N6)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C3C(=C2)NC(=O)C(=C3NC4CN5CCC4CC5)C6=NC7=CC=CC=C7N6)F

InChI

InChI=1S/C28H31FN6O/c29-19-14-18-22(15-24(19)35-10-4-1-5-11-35)33-28(36)25(27-31-20-6-2-3-7-21(20)32-27)26(18)30-23-16-34-12-8-17(23)9-13-34/h2-3,6-7,14-15,17,23H,1,4-5,8-13,16H2,(H,31,32)(H2,30,33,36)