4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-2-oxidanylidene-1H-quinoline-7-carbonitrile

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-2-oxidanylidene-1H-quinoline-7-carbonitrile Openeye Name: 3-(1H-benzimidazol-2-yl)-2-oxo-4-(quinuclidin-3-ylamino)-1H-quinoline-7-carbonitrile CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-2-oxo-1H-quinoline-7-carbonitrile IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-2-oxo-1H-quinoline-7-carbonitrile Traditional Name: 3-(1H-benzimidazol-2-yl)-2-keto-4-(quinuclidin-3-ylamino)-1H-quinoline-7-carbonitrile Formula: C24H22N6O MolecularWeight: 410.47108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=C(C(=O)NC4=C3C=CC(=C4)C#N)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN2CCC1C(C2)NC3=C(C(=O)NC4=C3C=CC(=C4)C#N)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C24H22N6O/c25-12-14-5-6-16-19(11-14)29-24(31)21(23-27-17-3-1-2-4-18(17)28-23)22(16)26-20-13-30-9-7-15(20)8-10-30/h1-6,11,15,20H,7-10,13H2,(H,27,28)(H2,26,29,31)