Analyte Name

6-Fluoro-1,3,4,5-tetrahydro-3-[4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl]-1-(2,2,2-trifluoroethyl)-2H-1-benzazepin-2-one

CAS Number

1093978-89-2

Molecular Formula

C25 H22 F4 N6 O2

Molecular Weight

514.475

Accurate Mass

514.174

SMILES

COc1cc(ccc1n2cnc(C)c2)c3cn(nn3)C4CCc5c(F)cccc5N(CC(F)(F)F)C4=O

InChI

InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3

IUPAC

6-fluoro-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-1-(2,2,2-trifluoroethyl)-4,5-dihydro-3H-1-benzazepin-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat