N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-ethynyl-1H-indazole-3-carboxamide; methanoic acid

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-ethynyl-1H-indazole-3-carboxamide; methanoic acid Openeye Name: 5-ethynyl-N-[(3R)-quinuclidin-3-yl]-1H-indazole-3-carboxamide; formic acid CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-ethynyl-1H-indazole-3-carboxamide; formic acid IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-ethynyl-1H-indazole-3-carboxamide; formic acid Traditional Name: 5-ethynyl-N-[(3R)-quinuclidin-3-yl]-1H-indazole-3-carboxamide; formic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)NN=C2C(=O)NC3CN4CCC3CC4.C(=O)O

Isomeric SMILES

C#CC1=CC2=C(C=C1)NN=C2C(=O)N[C@H]3CN4CCC3CC4.C(=O)O

InChI

InChI=1S/C17H18N4O.CH2O2/c1-2-11-3-4-14-13(9-11)16(20-19-14)17(22)18-15-10-21-7-5-12(15)6-8-21;2-1-3/h1,3-4,9,12,15H,5-8,10H2,(H,18,22)(H,19,20);1H,(H,2,3)/t15-;/m0./s1