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1-[2-(5-azanyl-1,2,3,4-tetrazol-1-yl)ethanoyl-(2-methylpropyl)amino]-N-(4-methylphenyl)cyclohexane-1-carboxamide
SpectraBase Compound ID GunD6EGQMol
InChI InChI=1S/C21H31N7O2/c1-15(2)13-27(18(29)14-28-20(22)24-25-26-28)21(11-5-4-6-12-21)19(30)23-17-9-7-16(3)8-10-17/h7-10,15H,4-6,11-14H2,1-3H3,(H,23,30)(H2,22,24,26)
InChIKey XZVJFEDYRROADJ-UHFFFAOYSA-N
Mol Weight 413.53 g/mol
Molecular Formula C21H31N7O2
Exact Mass 413.253923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg5oHWdkOTZ
Name 1-[2-(5-azanyl-1,2,3,4-tetrazol-1-yl)ethanoyl-(2-methylpropyl)amino]-N-(4-methylphenyl)cyclohexane-1-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N7O2
InChI InChI=1S/C21H31N7O2/c1-15(2)13-27(18(29)14-28-20(22)24-25-26-28)21(11-5-4-6-12-21)19(30)23-17-9-7-16(3)8-10-17/h7-10,15H,4-6,11-14H2,1-3H3,(H,23,30)(H2,22,24,26)
InChIKey XZVJFEDYRROADJ-UHFFFAOYSA-N
Molecular Weight 413.526 g/mol
SMILES Nc1[n](CC(N(C2(C(Nc3ccc(cc3)C)=O)CCCCC2)CC(C)C)=O)nnn1
SPLASH splash10-0pb9-5922000000-91a29e8f0d74677bd232
Synonyms 1-[[2-(5-amino-1-tetrazolyl)-1-oxoethyl]-(2-methylpropyl)amino]-N-(4-methylphenyl)-1-cyclohexanecarboxamide 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(2-methylpropyl)amino]-N-(4-methylphenyl)cyclohexane-1-carboxamide 1-[[2-(5-aminotetrazol-1-yl)acetyl]-isobutyl-amino]-N-(p-tolyl)cyclohexanecarboxamide
Wiley ID 1464575