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1H-Indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-cyclohexyl-5-hydroxy-, ethyl ester
SpectraBase Compound ID EvKk2KCF0sz
InChI InChI=1S/C24H31BrN4O3/c1-2-32-24(31)23-18-14-22(30)19(25)15-20(18)29(17-6-4-3-5-7-17)21(23)16-28-12-10-27(9-8-26)11-13-28/h14-15,17,30H,2-7,9-13,16H2,1H3
InChIKey KDPBUHMFKLXYKZ-UHFFFAOYSA-N
Mol Weight 503.44 g/mol
Molecular Formula C24H31BrN4O3
Exact Mass 502.157954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GeiEhjT0Ur
Name 1H-Indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-cyclohexyl-5-hydroxy-, ethyl ester
Alternate Name(s) 6-Bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-cyclohexyl-5-hydroxy-3-indolecarboxylic acid ethyl ester Ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-5-hydroxyindole-3-carboxylate Ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-5-hydroxy-indole-3-carboxylate Ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-5-oxidanyl-indole-3-carboxylate
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Formula C24H31BrN4O3
InChI InChI=1S/C24H31BrN4O3/c1-2-32-24(31)23-18-14-22(30)19(25)15-20(18)29(17-6-4-3-5-7-17)21(23)16-28-12-10-27(9-8-26)11-13-28/h14-15,17,30H,2-7,9-13,16H2,1H3
InChIKey KDPBUHMFKLXYKZ-UHFFFAOYSA-N
Molecular Weight 503.441 g/mol
SMILES Oc1c(Br)cc2c(c(c([n]2C2CCCCC2)CN2CCN(CC#N)CC2)C(=O)OCC)c1
SPLASH splash10-0a4l-9210000000-41138561c2e7f4bbfbec
Source of Spectrum IY-1-4545-5
Wiley ID 1653438