N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(4-methylpiperazin-1-yl)carbonyl-1H-indazole-3-carboxamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(4-methylpiperazin-1-yl)carbonyl-1H-indazole-3-carboxamide Openeye Name: 6-(4-methylpiperazine-1-carbonyl)-N-[(3S)-quinuclidin-3-yl]-1H-indazole-3-carboxamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-indazole-3-carboxamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(4-methylpiperazine-1-carbonyl)-1H-indazole-3-carboxamide Traditional Name: 6-(4-methylpiperazine-1-carbonyl)-N-[(3S)-quinuclidin-3-yl]-1H-indazole-3-carboxamide Formula: C21H28N6O2 MolecularWeight: 396.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=NN3)C(=O)NC4CN5CCC4CC5

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=NN3)C(=O)N[C@@H]4CN5CCC4CC5

InChI

InChI=1S/C21H28N6O2/c1-25-8-10-27(11-9-25)21(29)15-2-3-16-17(12-15)23-24-19(16)20(28)22-18-13-26-6-4-14(18)5-7-26/h2-3,12,14,18H,4-11,13H2,1H3,(H,22,28)(H,23,24)/t18-/m1/s1