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

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(quinuclidin-3-ylamino)-1H-quinolin-2-one CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(quinuclidin-3-ylamino)carbostyril Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C(=O)N2)C3=NC4=CC=CC=C4N3)NC5CN6CCC5CC6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C(=O)N2)C3=NC4=CC=CC=C4N3)NC5CN6CCC5CC6)OC

InChI

InChI=1S/C25H27N5O3/c1-32-20-11-15-18(12-21(20)33-2)29-25(31)22(24-27-16-5-3-4-6-17(16)28-24)23(15)26-19-13-30-9-7-14(19)8-10-30/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H,27,28)(H2,26,29,31)