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2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-keto-phthalazin-2-yl]-N-(2-pyridylmethyl)acetamide
SpectraBase Compound ID JMATOGJD9p3
InChI InChI=1S/C25H25N5O4S/c1-17-11-12-18(14-22(17)35(33,34)29(2)3)24-20-9-4-5-10-21(20)25(32)30(28-24)16-23(31)27-15-19-8-6-7-13-26-19/h4-14H,15-16H2,1-3H3,(H,27,31)
InChIKey SPVWRPQQIQEVJI-UHFFFAOYSA-N
Mol Weight 491.57 g/mol
Molecular Formula C25H25N5O4S
Exact Mass 491.162725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0jVnPqIxiS
Name 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-keto-phthalazin-2-yl]-N-(2-pyridylmethyl)acetamide
Alternate Name(s) 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-2-ylmethyl)ethanamide 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-oxo-phthalazin-2-yl]-N-(2-pyridylmethyl)acetamide 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-2-phthalazinyl]-N-(2-pyridinylmethyl)acetamide 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
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Formula C25H25N5O4S
InChI InChI=1S/C25H25N5O4S/c1-17-11-12-18(14-22(17)35(33,34)29(2)3)24-20-9-4-5-10-21(20)25(32)30(28-24)16-23(31)27-15-19-8-6-7-13-26-19/h4-14H,15-16H2,1-3H3,(H,27,31)
InChIKey SPVWRPQQIQEVJI-UHFFFAOYSA-N
Molecular Weight 491.566 g/mol
SMILES N(C(CN1N=C(c2cc(S(N(C)C)(=O)=O)c(cc2)C)c2c(C1=O)cccc2)=O)Cc1ncccc1
SPLASH splash10-001c-5954000000-98021ef51be63e8dd8f4
Wiley ID 1462776