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N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl]-3-trifluoromethyl-benzamide
SpectraBase Compound ID JV1kr1EpZyy
InChI InChI=1S/C29H21F3N4O2/c1-18-16-22(34-28(38)20-8-5-9-21(17-20)29(30,31)32)10-11-24(18)36-15-13-23-25(36)12-14-33-26(23)35-27(37)19-6-3-2-4-7-19/h2-17H,1H3,(H,34,38)(H,33,35,37)
InChIKey ZEEJSPDZTVNDAA-UHFFFAOYSA-N
Mol Weight 514.51 g/mol
Molecular Formula C29H21F3N4O2
Exact Mass 514.16166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QFXNXZOKuv
Name N-[4-(4-benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl]-3-trifluoromethyl-benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C29H21F3N4O2
InChI InChI=1S/C29H21F3N4O2/c1-18-16-22(34-28(38)20-8-5-9-21(17-20)29(30,31)32)10-11-24(18)36-15-13-23-25(36)12-14-33-26(23)35-27(37)19-6-3-2-4-7-19/h2-17H,1H3,(H,34,38)(H,33,35,37)
InChIKey ZEEJSPDZTVNDAA-UHFFFAOYSA-N
Molecular Weight 514.508 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(c4cc(C(F)(F)F)ccc4)=O)cc3C)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-014i-0000090000-219f054cbc180b797e03
Source of Spectrum F2-46-3224-9f
Synonyms N-[4-(4-benzamido-1-pyrrolo[3,2-c]pyridinyl)-3-methylphenyl]-3-(trifluoromethyl)benzamide N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl]-3-(trifluoromethyl)benzamide
Wiley ID 1689990