Analyte Name

(S)-Methyl-3-(7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e] [1,4]diazepin-3-yl) propionate

CAS Number

308242-23-1

Molecular Formula

C18 H16 Br N3 O3

Molecular Weight

402.242

Accurate Mass

401.038

SMILES

COC(=O)CC[C@@H]1N=C(c2ccccn2)c3cc(Br)ccc3NC1=O

InChI

InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)/t15-/m0/s1

IUPAC

methyl 3-[(3S)-7-bromo-2-oxo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat