N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(cyclopropylcarbonylamino)-1-ethyl-indazole-3-carboxamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(cyclopropylcarbonylamino)-1-ethyl-indazole-3-carboxamide Openeye Name: 6-(cyclopropanecarbonylamino)-1-ethyl-N-[(3S)-quinuclidin-3-yl]indazole-3-carboxamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[[cyclopropyl(oxo)methyl]amino]-1-ethyl-3-indazolecarboxamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(cyclopropanecarbonylamino)-1-ethylindazole-3-carboxamide Traditional Name: 6-(cyclopropanecarbonylamino)-1-ethyl-N-[(3S)-quinuclidin-3-yl]indazole-3-carboxamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)C3CC3)C(=N1)C(=O)NC4CN5CCC4CC5

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)C3CC3)C(=N1)C(=O)N[C@@H]4CN5CCC4CC5

InChI

InChI=1S/C21H27N5O2/c1-2-26-18-11-15(22-20(27)14-3-4-14)5-6-16(18)19(24-26)21(28)23-17-12-25-9-7-13(17)8-10-25/h5-6,11,13-14,17H,2-4,7-10,12H2,1H3,(H,22,27)(H,23,28)/t17-/m1/s1