Synthesis of New N,N′‐Diarylureas and Their Theoretical Study as Cannabinoid‐1 Receptor Inhibitors

Abstract A series of new N,N′‐diarylureas is reported as potential cannabinoid‐1 (CB‐1) receptor inhibitors. The synthesis of the new N,N′‐diarylureas is achieved from the reaction of two substituted anilines with the aid of triphosgene. One aniline carries a pyrazol‐1‐yl or 1H‐1,2,3‐triazolyl or 2H‐1,2,3‐triazolyl propan‐2‐one group at position‐3, while the other aniline is substituted by fluoro, bromo, methoxy, cyano, morpholino, or 4‐methyl‐2‐nitro groups. All new compounds are investigated through density functional theory calculations, molecular docking, and molecular dynamics simulations, showing a