N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-thiophen-2-yl-1H-indazole-3-carboxamide; methanoic acid

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-thiophen-2-yl-1H-indazole-3-carboxamide; methanoic acid Openeye Name: formic acid; N-[(3S)-quinuclidin-3-yl]-6-(2-thienyl)-1H-indazole-3-carboxamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-thiophen-2-yl-1H-indazole-3-carboxamide; formic acid IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-thiophen-2-yl-1H-indazole-3-carboxamide; formic acid Traditional Name: formic acid; N-[(3S)-quinuclidin-3-yl]-6-(2-thienyl)-1H-indazole-3-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=NNC4=C3C=CC(=C4)C5=CC=CS5.C(=O)O

Isomeric SMILES

C1CN2CCC1[C@@H](C2)NC(=O)C3=NNC4=C3C=CC(=C4)C5=CC=CS5.C(=O)O

InChI

InChI=1S/C19H20N4OS.CH2O2/c24-19(20-16-11-23-7-5-12(16)6-8-23)18-14-4-3-13(10-15(14)21-22-18)17-2-1-9-25-17;2-1-3/h1-4,9-10,12,16H,5-8,11H2,(H,20,24)(H,21,22);1H,(H,2,3)/t16-;/m1./s1