N-(4-pyridin-3-ylbutyl)-N-(1,3-thiazol-2-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: N-(4-pyridin-3-ylbutyl)-N-(1,3-thiazol-2-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide Openeye Name: N-[4-(3-pyridyl)butyl]-N-(thiazol-2-ylmethyl)quinuclidine-2-carboxamide CAS Name: N-[4-(3-pyridinyl)butyl]-N-(2-thiazolylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: N-(4-pyridin-3-ylbutyl)-N-(1,3-thiazol-2-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide Traditional Name: N-[4-(3-pyridyl)butyl]-N-(thiazol-2-ylmethyl)quinuclidine-2-carboxamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1CC2C(=O)N(CCCCC3=CN=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1CN2CCC1CC2C(=O)N(CCCCC3=CN=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C21H28N4OS/c26-21(19-14-17-6-11-24(19)12-7-17)25(16-20-23-9-13-27-20)10-2-1-4-18-5-3-8-22-15-18/h3,5,8-9,13,15,17,19H,1-2,4,6-7,10-12,14,16H2