N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide Openeye Name: 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-4-[[[(5-methyl-2-pyrazinyl)amino]-oxomethyl]amino]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide Traditional Name: 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]-N-quinuclidin-3-yl-benzamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)NC(=O)NC2=C(C=C(C=C2)C(=O)NC3CN4CCC3CC4)OC

Isomeric SMILES

CC1=CN=C(C=N1)NC(=O)NC2=C(C=C(C=C2)C(=O)NC3CN4CCC3CC4)OC

InChI

InChI=1S/C21H26N6O3/c1-13-10-23-19(11-22-13)26-21(29)25-16-4-3-15(9-18(16)30-2)20(28)24-17-12-27-7-5-14(17)6-8-27/h3-4,9-11,14,17H,5-8,12H2,1-2H3,(H,24,28)(H2,23,25,26,29)