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3-(4-Chlorophenyl)4-phenyl-5-(2-piperazinoethylanilino)isoxazole
SpectraBase Compound ID 6v3qaO5jEU7
InChI InChI=1S/C27H27ClN4O/c28-23-13-11-22(12-14-23)26-25(21-7-3-1-4-8-21)27(33-30-26)32(24-9-5-2-6-10-24)20-19-31-17-15-29-16-18-31/h1-14,29H,15-20H2
InChIKey CKJNKJNDGUOLIT-UHFFFAOYSA-N
Mol Weight 458.99 g/mol
Molecular Formula C27H27ClN4O
Exact Mass 458.187339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDJ20FJMx28
Name 3-(4-Chlorophenyl)4-phenyl-5-(2-piperazinoethylanilino)isoxazole
Alternate Name(s) 3-(4-Chlorophenyl)-N,4-diphenyl-N-(2-(piperazin-1-yl)ethyl)isoxazol-5-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27ClN4O
InChI InChI=1S/C27H27ClN4O/c28-23-13-11-22(12-14-23)26-25(21-7-3-1-4-8-21)27(33-30-26)32(24-9-5-2-6-10-24)20-19-31-17-15-29-16-18-31/h1-14,29H,15-20H2
InChIKey CKJNKJNDGUOLIT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19903230904
Molecular Weight 458.993 g/mol
SMILES N1CCN(CC1)CCN(c1c(c(no1)-c1ccc(cc1)Cl)-c1ccccc1)c1ccccc1
SPLASH splash10-0002-9010000000-3a33cfb2e905272df5b6
Source of Spectrum APC-323-576-7d
Wiley ID 1799006