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N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl]-4-chloro-3-trifluoromethyl-benzamide
SpectraBase Compound ID LJh6gHIHV4U
InChI InChI=1S/C29H20ClF3N4O2/c1-17-15-20(35-28(39)19-7-9-23(30)22(16-19)29(31,32)33)8-10-24(17)37-14-12-21-25(37)11-13-34-26(21)36-27(38)18-5-3-2-4-6-18/h2-16H,1H3,(H,35,39)(H,34,36,38)
InChIKey PGBFZCHZIRZREF-UHFFFAOYSA-N
Mol Weight 548.95 g/mol
Molecular Formula C29H20ClF3N4O2
Exact Mass 548.122688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtxTiOSZ8oo
Name N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl]-4-chloro-3-trifluoromethyl-benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C29H20ClF3N4O2
InChI InChI=1S/C29H20ClF3N4O2/c1-17-15-20(35-28(39)19-7-9-23(30)22(16-19)29(31,32)33)8-10-24(17)37-14-12-21-25(37)11-13-34-26(21)36-27(38)18-5-3-2-4-6-18/h2-16H,1H3,(H,35,39)(H,34,36,38)
InChIKey PGBFZCHZIRZREF-UHFFFAOYSA-N
Molecular Weight 548.953 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(c4cc(C(F)(F)F)c(cc4)Cl)=O)cc3C)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-0udi-0000090000-886c8eb5be6e19fa813e
Source of Spectrum F2-46-3224-9g
Synonyms N-[4-(4-benzamido-1-pyrrolo[3,2-c]pyridinyl)-3-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)-3-methyl-phenyl]-4-chloranyl-3-(trifluoromethyl)benzamide
Wiley ID 1689989