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1-[3-[2-(2-chlorobenzyl)oxyphenyl]-4-(4-morpholinophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID 2dOTOqrErZf
InChI InChI=1S/C33H31ClN4O3/c1-24(39)32-35-38(28-10-3-2-4-11-28)33(37(32)27-17-15-26(16-18-27)36-19-21-40-22-20-36)29-12-6-8-14-31(29)41-23-25-9-5-7-13-30(25)34/h2-18,33H,19-23H2,1H3
InChIKey PYHBMUNMKNMMOR-UHFFFAOYSA-N
Mol Weight 567.1 g/mol
Molecular Formula C33H31ClN4O3
Exact Mass 566.208469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Br5nqQ1JvC6
Name 1-[3-[2-(2-chlorobenzyl)oxyphenyl]-4-(4-morpholinophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Alternate Name(s) 1-[3-[2-[(2-chlorophenyl)methoxy]phenyl]-4-(4-morpholin-4-ylphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(2-chlorophenyl)methoxy]phenyl]-4-(4-morpholinophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(2-chlorophenyl)methoxy]phenyl]-4-[4-(4-morpholinyl)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
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Formula C33H31ClN4O3
InChI InChI=1S/C33H31ClN4O3/c1-24(39)32-35-38(28-10-3-2-4-11-28)33(37(32)27-17-15-26(16-18-27)36-19-21-40-22-20-36)29-12-6-8-14-31(29)41-23-25-9-5-7-13-30(25)34/h2-18,33H,19-23H2,1H3
InChIKey PYHBMUNMKNMMOR-UHFFFAOYSA-N
Molecular Weight 567.089 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(N3CCOCC3)cc2)c2c(OCc3c(Cl)cccc3)cccc2)cc1
SPLASH splash10-0002-0219020000-79ec6a21c610b346c82c
Wiley ID 1454704