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1-[3-(4-benzoxyphenyl)-4-(3-chloro-4-morpholino-phenyl)-2-(4-chlorophenyl)-3H-1,2,4-triazol-5-yl]ethanone

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1-[3-(4-benzoxyphenyl)-4-(3-chloro-4-morpholino-phenyl)-2-(4-chlorophenyl)-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID IqUqInQgAKg
InChI InChI=1S/C33H30Cl2N4O3/c1-23(40)32-36-39(27-11-9-26(34)10-12-27)33(25-7-14-29(15-8-25)42-22-24-5-3-2-4-6-24)38(32)28-13-16-31(30(35)21-28)37-17-19-41-20-18-37/h2-16,21,33H,17-20,22H2,1H3
InChIKey JQDJZUNGHIXQNM-UHFFFAOYSA-N
Mol Weight 601.5 g/mol
Molecular Formula C33H30Cl2N4O3
Exact Mass 600.169496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SASqXRl5Jt
Name 1-[3-(4-benzoxyphenyl)-4-(3-chloro-4-morpholino-phenyl)-2-(4-chlorophenyl)-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H30Cl2N4O3
InChI InChI=1S/C33H30Cl2N4O3/c1-23(40)32-36-39(27-11-9-26(34)10-12-27)33(25-7-14-29(15-8-25)42-22-24-5-3-2-4-6-24)38(32)28-13-16-31(30(35)21-28)37-17-19-41-20-18-37/h2-16,21,33H,17-20,22H2,1H3
InChIKey JQDJZUNGHIXQNM-UHFFFAOYSA-N
Molecular Weight 601.534 g/mol
SMILES c1ccc(COc2ccc(C3N(c4ccc(cc4)Cl)N=C(N3c3cc(Cl)c(cc3)N3CCOCC3)C(=O)C)cc2)cc1
SPLASH splash10-00kf-6922502000-ff3ed5e9abf5d643c821
Synonyms 1-[3-(4-benzyloxyphenyl)-4-(3-chloro-4-morpholino-phenyl)-2-(4-chlorophenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[4-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[4-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[4-[3-chloro-4-(4-morpholinyl)phenyl]-2-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1437486