N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-5-methyl-4-(pyrazin-2-ylcarbamoylamino)benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-5-methyl-4-(pyrazin-2-ylcarbamoylamino)benzamide Openeye Name: 3-methoxy-5-methyl-4-(pyrazin-2-ylcarbamoylamino)-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-5-methyl-4-[[oxo-(2-pyrazinylamino)methyl]amino]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-5-methyl-4-(pyrazin-2-ylcarbamoylamino)benzamide Traditional Name: 3-methoxy-5-methyl-4-(pyrazin-2-ylcarbamoylamino)-N-quinuclidin-3-yl-benzamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC2CN3CCC2CC3)OC)NC(=O)NC4=NC=CN=C4

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NC2CN3CCC2CC3)OC)NC(=O)NC4=NC=CN=C4

InChI

InChI=1S/C21H26N6O3/c1-13-9-15(20(28)24-16-12-27-7-3-14(16)4-8-27)10-17(30-2)19(13)26-21(29)25-18-11-22-5-6-23-18/h5-6,9-11,14,16H,3-4,7-8,12H2,1-2H3,(H,24,28)(H2,23,25,26,29)