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1-[2-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[2-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID CEZhBmjkplT
InChI InChI=1S/C27H27ClN4O3/c1-19(33)26-29-32(23-12-8-21(28)9-13-23)27(31(26)24-4-3-5-25(18-24)34-2)20-6-10-22(11-7-20)30-14-16-35-17-15-30/h3-13,18,27H,14-17H2,1-2H3
InChIKey AYULBOXVHKIVEG-UHFFFAOYSA-N
Mol Weight 490.99 g/mol
Molecular Formula C27H27ClN4O3
Exact Mass 490.177168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 380p7qRRsu
Name 1-[2-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27ClN4O3
InChI InChI=1S/C27H27ClN4O3/c1-19(33)26-29-32(23-12-8-21(28)9-13-23)27(31(26)24-4-3-5-25(18-24)34-2)20-6-10-22(11-7-20)30-14-16-35-17-15-30/h3-13,18,27H,14-17H2,1-2H3
InChIKey AYULBOXVHKIVEG-UHFFFAOYSA-N
Molecular Weight 490.991 g/mol
SMILES COc1cc(N2C(=NN(C2c2ccc(N3CCOCC3)cc2)c2ccc(cc2)Cl)C(=O)C)ccc1
SPLASH splash10-0006-2224900000-758563e8217db4ce5713
Synonyms 1-[2-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-(4-morpholinophenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[2-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-[4-(4-morpholinyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone 1-{1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-[4-(4-morpholinyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone
Wiley ID 1437478