Catalog Number:
AG001K9P
Chemical Name:
1,4-Benzoxazepin-5(2H)-one, 3,4-dihydro-4-(2-pyrimidinylmethyl)-7-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)
CAS Number:
1448754-43-5
Molecular Formula:
C21H17ClF3N3O3
Molecular Weight:
451.8262
MDL Number:
MFCD30377215
IUPAC Name:
4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one;hydrochloride
InChI:
InChI=1S/C21H16F3N3O3.ClH/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19;/h1-9,12H,10-11,13H2;1H
InChI Key:
ZRYHNOXHGYUHFF-UHFFFAOYSA-N
SMILES:
O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1.Cl
UNII:
4R1JP3Q4HI
