N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-phenylethynyl)-1H-indazole-3-carboxamide

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-phenylethynyl)-1H-indazole-3-carboxamide Openeye Name: 6-(2-phenylethynyl)-N-[(3R)-quinuclidin-3-yl]-1H-indazole-3-carboxamide CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-phenylethynyl)-1H-indazole-3-carboxamide IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-phenylethynyl)-1H-indazole-3-carboxamide Traditional Name: 6-(2-phenylethynyl)-N-[(3R)-quinuclidin-3-yl]-1H-indazole-3-carboxamide Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=NNC4=C3C=CC(=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN2CCC1[C@H](C2)NC(=O)C3=NNC4=C3C=CC(=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O/c28-23(24-21-15-27-12-10-18(21)11-13-27)22-19-9-8-17(14-20(19)25-26-22)7-6-16-4-2-1-3-5-16/h1-5,8-9,14,18,21H,10-13,15H2,(H,24,28)(H,25,26)/t21-/m0/s1