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N-(3-Bromo-4-methyl-phenyl)-3-(4-cyanomethyl-piperazin-1-yl)-propionamide
SpectraBase Compound ID LkhJM4jPYLZ
InChI InChI=1S/C16H21BrN4O/c1-13-2-3-14(12-15(13)17)19-16(22)4-6-20-8-10-21(7-5-18)11-9-20/h2-3,12H,4,6-11H2,1H3,(H,19,22)
InChIKey PJMCMOIBAWVWGD-UHFFFAOYSA-N
Mol Weight 365.28 g/mol
Molecular Formula C16H21BrN4O
Exact Mass 364.089874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1osDPVmCvAR
Name N-(3-Bromo-4-methyl-phenyl)-3-(4-cyanomethyl-piperazin-1-yl)-propionamide
Alternate Name(s) N-(3-bromanyl-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide N-(3-bromo-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide N-(3-bromo-4-methyl-phenyl)-3-[4-(cyanomethyl)piperazino]propionamide N-(3-Bromo-4-methylphenyl)-3-[4-(cyanomethyl)-1-piperazinyl]propanamide
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Formula C16H21BrN4O
InChI InChI=1S/C16H21BrN4O/c1-13-2-3-14(12-15(13)17)19-16(22)4-6-20-8-10-21(7-5-18)11-9-20/h2-3,12H,4,6-11H2,1H3,(H,19,22)
InChIKey PJMCMOIBAWVWGD-UHFFFAOYSA-N
Molecular Weight 365.275 g/mol
SMILES N(C(CCN1CCN(CC#N)CC1)=O)c1cc(Br)c(cc1)C
SPLASH splash10-052p-9530000000-bd0641327457323f77e4
Wiley ID 1464756