The structure, energetics, and aromaticity of c.a. 100 constitutional isomers tautomers pyrido[m,n]diazepines (m = 1, 2; n 2, 3, 4, 5; m ≠ n) were studied at the B3LYP/cc-pVTZ level. pyrido[1,3]diazepines appear most, while pyrido[2,4]diazepines are least stable (ca. 26 kcal/mol). In pyrido[1,n]diazepine group (n 2–5), [1,5] higher in energy by ca. 4.5 kcal/mol [1,4] ones 7 kcal/mol, pyrido[1,2...

In the title compound, C(21)H(16)F(2)N(2), the seven-membered 1,4-diazepine ring of the benzodiazepine ring system adopts a distorted-boat conformation. The benzene ring of this system makes dihedral angles of 18.6 (2) and 78.8 (2)° with those of two fluoro-phenyl substituents. In the crystal, inversion dimers linked by two weak C-H⋯F hydrogen bonds generate R(2) (2)(20) ring motifs. There are ...

A series of novel 10-substituted 2-hydroxypyrrolobenzodiazepine-5,11-diones designed through structure based rational hybridization approach, synthesized by the cyclodehydration of isotonic anhydride with (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid followed by N-substitution, were evaluated as angiotensin converting enzyme (ACE) inhibitors. Among all the new compounds screened (2R,11aS)-10-(...

In the title solvate, C17H20N4S·2C3H8O, pairs of olanzapine mol-ecules related by a centre of inversion stack along the a axis, forming columns, which are packed parallel to each other along the b axis, forming a sheet arrangement. The columns within these sheets are hydrogen bonded to each other through the propan-2-ol solvent mol-ecules. The diazepine ring of the olanzapine exists in a pucker...

The synthesis and hypnotic evaluation of a new generation of thiazolo[3,2-a][1,3]diazepine analogs are described. Those compounds exhibit potent in vivo activities as ultra-short acting hypnotics. Background of the Invention Surgical procedures require the administration of several intravenous drugs to ensure hypnosis, analgesia, relaxation and control of visceral reflex responses. The use of i...

Diazocoupling reaction of curcumin with different diazonium salts of p-toluidine, 2-aminopyridine, and 4-aminoantipyrine in pyridine yielded the arylhydrazones 2a-c. Arylhydrazone of p-toluidine reacted with urea, thiourea, and guanidine nitrate to produce 5,6-dihydropyrimidines. Further reaction of 2a with 2,3-diaminopyrdine in sodium ethoxide solution yielded 1H-pyrido[2,3-b][1,4]diazepine de...