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1-[3-[2-(2-chlorobenzyl)oxy-3-methoxy-phenyl]-4-(4-morpholinophenyl)-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID 6GoatWU1mmg
InChI InChI=1S/C35H35ClN4O4/c1-24-11-13-29(14-12-24)40-35(30-8-6-10-32(42-3)33(30)44-23-26-7-4-5-9-31(26)36)39(34(37-40)25(2)41)28-17-15-27(16-18-28)38-19-21-43-22-20-38/h4-18,35H,19-23H2,1-3H3
InChIKey AJASCCUDCCRERG-UHFFFAOYSA-N
Mol Weight 611.1 g/mol
Molecular Formula C35H35ClN4O4
Exact Mass 610.234683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyPt0PweW6E
Name 1-[3-[2-(2-chlorobenzyl)oxy-3-methoxy-phenyl]-4-(4-morpholinophenyl)-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
Alternate Name(s) 1-[3-[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-(4-methylphenyl)-4-(4-morpholin-4-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-4-(4-morpholinophenyl)-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-(4-methylphenyl)-4-[4-(4-morpholinyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone
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Formula C35H35ClN4O4
InChI InChI=1S/C35H35ClN4O4/c1-24-11-13-29(14-12-24)40-35(30-8-6-10-32(42-3)33(30)44-23-26-7-4-5-9-31(26)36)39(34(37-40)25(2)41)28-17-15-27(16-18-28)38-19-21-43-22-20-38/h4-18,35H,19-23H2,1-3H3
InChIKey AJASCCUDCCRERG-UHFFFAOYSA-N
Molecular Weight 611.142 g/mol
SMILES c1ccc(COc2c(C3N(C(=NN3c3ccc(cc3)C)C(=O)C)c3ccc(N4CCOCC4)cc3)cccc2OC)c(Cl)c1
SPLASH splash10-03di-0119101000-9263394cc24c33227320
Wiley ID 1454707