2-sec-Butyl-d5-4-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one

Analyte Name

2-sec-Butyl-d5-4-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-ph

CAS Number

1020719-21-4

Molecular Formula

C22 2H5 H22 N5 O2

Molecular Weight

398.51

Accurate Mass

398.2479

SMILES

[2H]C([2H])([2H])C([2H])([2H])C(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(O)cc4

InChI

InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3/i1D3,3D2

IUPAC

4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one

Unlabelled CAS Number

106461-41-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat