N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-thiophen-2-yl-pyrazole-1-carboxamide

Systemtic Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-thiophen-2-yl-pyrazole-1-carboxamide Openeye Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-4-(2-thienyl)pyrazole-1-carboxamide CAS Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-thiophen-2-yl-1-pyrazolecarboxamide IUPAC Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-thiophen-2-ylpyrazole-1-carboxamide Traditional Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-4-(2-thienyl)pyrazole-1-carboxamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)N3C=C(C=N3)C4=CC=CS4

Isomeric SMILES

C[C@H]1[C@@H](C2CCN1CC2)NC(=O)N3C=C(C=N3)C4=CC=CS4

InChI

InChI=1S/C16H20N4OS/c1-11-15(12-4-6-19(11)7-5-12)18-16(21)20-10-13(9-17-20)14-3-2-8-22-14/h2-3,8-12,15H,4-7H2,1H3,(H,18,21)/t11-,15-/m0/s1