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5-Acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazino]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID I7FEDgz8871
InChI InChI=1S/C21H25BrN4O4/c1-4-29-21(28)20-15-11-19(30-14(2)27)16(22)12-17(15)24(3)18(20)13-26-9-7-25(6-5-23)8-10-26/h11-12H,4,6-10,13H2,1-3H3
InChIKey KNHANTNFXPHKIJ-UHFFFAOYSA-N
Mol Weight 477.36 g/mol
Molecular Formula C21H25BrN4O4
Exact Mass 476.105918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pVm8QgdgyO
Name 5-Acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazino]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester
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Formula C21H25BrN4O4
InChI InChI=1S/C21H25BrN4O4/c1-4-29-21(28)20-15-11-19(30-14(2)27)16(22)12-17(15)24(3)18(20)13-26-9-7-25(6-5-23)8-10-26/h11-12H,4,6-10,13H2,1-3H3
InChIKey KNHANTNFXPHKIJ-UHFFFAOYSA-N
Molecular Weight 477.359 g/mol
SMILES c1(c([n](C)c2c1cc(OC(=O)C)c(c2)Br)CN1CCN(CC1)CC#N)C(=O)OCC
SPLASH splash10-00fu-9766300000-afd7782a351520366010
Synonyms 5-Acetyloxy-6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester Ethyl 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate Ethyl 5-acetyloxy-6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate Ethyl 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methylindole-3-carboxylate
Wiley ID 1512162