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

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyano-1H-indazole-3-carboxamide; methanoic acid Openeye Name: 5-cyano-N-[(3R)-quinuclidin-3-yl]-1H-indazole-3-carboxamide; formic acid CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyano-1H-indazole-3-carboxamide; formic acid IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyano-1H-indazole-3-carboxamide; formic acid Traditional Name: 5-cyano-N-[(3R)-quinuclidin-3-yl]-1H-indazole-3-carboxamide; formic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=NNC4=C3C=C(C=C4)C#N.C(=O)O

Isomeric SMILES

C1CN2CCC1[C@H](C2)NC(=O)C3=NNC4=C3C=C(C=C4)C#N.C(=O)O

InChI

InChI=1S/C16H17N5O.CH2O2/c17-8-10-1-2-13-12(7-10)15(20-19-13)16(22)18-14-9-21-5-3-11(14)4-6-21;2-1-3/h1-2,7,11,14H,3-6,9H2,(H,18,22)(H,19,20);1H,(H,2,3)/t14-;/m0./s1