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4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1-phthalazinamine
SpectraBase Compound ID 9NBROHkbkpN
InChI InChI=1S/C27H25F3N4O3S/c1-18-9-10-19(17-24(18)38(35,36)34-15-5-2-6-16-34)25-22-7-3-4-8-23(22)26(33-32-25)31-20-11-13-21(14-12-20)37-27(28,29)30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,31,33)
InChIKey DQWZOHSHYAZGFU-UHFFFAOYSA-N
Mol Weight 542.58 g/mol
Molecular Formula C27H25F3N4O3S
Exact Mass 542.159946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLfOV8eBKGq
Name 4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1-phthalazinamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25F3N4O3S
InChI InChI=1S/C27H25F3N4O3S/c1-18-9-10-19(17-24(18)38(35,36)34-15-5-2-6-16-34)25-22-7-3-4-8-23(22)26(33-32-25)31-20-11-13-21(14-12-20)37-27(28,29)30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,31,33)
InChIKey DQWZOHSHYAZGFU-UHFFFAOYSA-N
Molecular Weight 542.577 g/mol
SMILES N(c1c2c(c(nn1)-c1cc(S(N3CCCCC3)(=O)=O)c(cc1)C)cccc2)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0007-9547030000-3c780bfca0f3a4425b97
Synonyms 4-(4-Methyl-3-piperidin-1-ylsulfonyl-phenyl)-N-[4-(trifluoromethyloxy)phenyl]phthalazin-1-amine 4-(4-Methyl-3-piperidin-1-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine 4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine [4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]-[4-(trifluoromethoxy)phenyl]amine
Wiley ID 1462762