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N-[[2-[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
SpectraBase Compound ID LKKTgbjI7v
InChI InChI=1S/C21H26N6O4/c28-19(13-25-14-23-21(24-25)27(30)31)26-11-10-15-6-4-5-9-17(15)18(26)12-22-20(29)16-7-2-1-3-8-16/h4-6,9,14,16,18H,1-3,7-8,10-13H2,(H,22,29)
InChIKey DAEBLOFIIVIRPM-UHFFFAOYSA-N
Mol Weight 426.48 g/mol
Molecular Formula C21H26N6O4
Exact Mass 426.201553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xwAfA1rexn
Name N-[[2-[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N6O4
InChI InChI=1S/C21H26N6O4/c28-19(13-25-14-23-21(24-25)27(30)31)26-11-10-15-6-4-5-9-17(15)18(26)12-22-20(29)16-7-2-1-3-8-16/h4-6,9,14,16,18H,1-3,7-8,10-13H2,(H,22,29)
InChIKey DAEBLOFIIVIRPM-UHFFFAOYSA-N
Molecular Weight 426.477 g/mol
SMILES N(C(=O)C1CCCCC1)CC1N(C(C[n]2nc(nc2)N(=O)=O)=O)CCc2ccccc12
SPLASH splash10-001i-8940000000-977a66f7c2b6094c635e
Synonyms N-[[2-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide N-[[2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
Wiley ID 1443639