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N-methyl-N-[4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide
SpectraBase Compound ID 7ljHCqchha8
InChI InChI=1S/C18H16F3N3O3/c1-24(16(26)11-7-3-2-4-8-11)14-15(25)22-12-9-5-6-10-13(12)23-17(14,27)18(19,20)21/h2-10,14,23,27H,1H3,(H,22,25)
InChIKey WOWAGERKVQZGLH-UHFFFAOYSA-N
Mol Weight 379.34 g/mol
Molecular Formula C18H16F3N3O3
Exact Mass 379.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIHaZCcUq4n
Name N-methyl-N-[4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-3-yl]benzamide
Alternate Name(s) N-[4-hydroxy-2-keto-4-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-3-yl]-N-methyl-benzamide N-[4-hydroxy-2-oxo-4-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-3-yl]-N-methyl-benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C18H16F3N3O3
InChI InChI=1S/C18H16F3N3O3/c1-24(16(26)11-7-3-2-4-8-11)14-15(25)22-12-9-5-6-10-13(12)23-17(14,27)18(19,20)21/h2-10,14,23,27H,1H3,(H,22,25)
InChIKey WOWAGERKVQZGLH-UHFFFAOYSA-N
Molecular Weight 379.339 g/mol
SMILES N1c2c(NC(C(C1=O)N(C(=O)c1ccccc1)C)(C(F)(F)F)O)cccc2
SPLASH splash10-0a4i-0901000000-f24e61f7350fd0cb7a9e
Source of Spectrum O1-55-1923-3
Wiley ID 1591377