Analyte Name

(E)-1,3-Bis(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxyphenyl)prop-2-en-1-one-d6

Molecular Formula

C47H44D6F2N4O7

Molecular Weight

826.97

Accurate Mass

826.4

SMILES

FC1=CC2=C(C(C3CCN(CCCOC(C=C4)=C(OC([2H])([2H])[2H])C=C4/C=C/C(C5=CC=C(OCCCN6CCC(C7=NOC8=C7C=CC(F)=C8)CC6)C(OC([2H])([2H])[2H])=C5)=O)CC3)=NO2)C=C1

InChI

InChI=1S/C47H50F2N4O7/c1-55-44-27-31(6-13-40(44)57-25-3-19-52-21-15-32(16-22-52)46-37-10-8-35(48)29-42(37)59-50-46)5-12-39(54)34-7-14-41(45(28-34)56-2)58-26-4-20-53-23-17-33(18-24-53)47-38-11-9-36(49)30-43(38)60-51-47/h5-14,27-30,32-33H,3-4,15-26H2,1-2H3/b12-5+/i1D3,2D3

IUPAC

(E)-1,3-bis(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-(methoxy-d3)phenyl)prop-2-en-1-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat