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N-[2-[6,7-dimethoxy-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-4-methoxyphenyl]-2,2,2-trifluoroacetamide

View entire compound with spectra: 1 MS (GC)

N-[2-[6,7-dimethoxy-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-4-methoxyphenyl]-2,2,2-trifluoroacetamide
SpectraBase Compound ID 8Tjcqhdrkg1
InChI InChI=1S/C22H20F6N2O5/c1-33-12-4-5-15(29-19(31)21(23,24)25)14(9-12)18-13-10-17(35-3)16(34-2)8-11(13)6-7-30(18)20(32)22(26,27)28/h4-5,8-10,18H,6-7H2,1-3H3,(H,29,31)
InChIKey JAOCPUZJMQQWOB-UHFFFAOYSA-N
Mol Weight 506.4 g/mol
Molecular Formula C22H20F6N2O5
Exact Mass 506.127641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JsZKbG5800
Name N-[2-[6,7-dimethoxy-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-4-methoxyphenyl]-2,2,2-trifluoroacetamide
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Formula C22H20F6N2O5
InChI InChI=1S/C22H20F6N2O5/c1-33-12-4-5-15(29-19(31)21(23,24)25)14(9-12)18-13-10-17(35-3)16(34-2)8-11(13)6-7-30(18)20(32)22(26,27)28/h4-5,8-10,18H,6-7H2,1-3H3,(H,29,31)
InChIKey JAOCPUZJMQQWOB-UHFFFAOYSA-N
Molecular Weight 506.401 g/mol
SMILES N(c1c(C2N(CCc3cc(c(cc23)OC)OC)C(=O)C(F)(F)F)cc(cc1)OC)C(=O)C(F)(F)F
SPLASH splash10-052f-0009420000-0559b751536a4e6d1904
Source of Spectrum F2-42-3481-4
Synonyms N-[2-[6,7-dimethoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-4-methoxy-phenyl]-2,2,2-trifluoro-acetamide N-[2-[6,7-dimethoxy-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]-4-methoxy-phenyl]-2,2,2-tris(fluoranyl)ethanamide
Wiley ID 1600360