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N-Cyclohexyl-4,5-dihydro-5-(2,4,6-trinitrophenyl)-1,2,3-triazolo[1,5-a][1,4]benzodiazepine-6-carboxamide

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N-Cyclohexyl-4,5-dihydro-5-(2,4,6-trinitrophenyl)-1,2,3-triazolo[1,5-a][1,4]benzodiazepine-6-carboxamide
SpectraBase Compound ID 2Ntz2BhVKEh
InChI InChI=1S/C23H22N8O7/c32-23(25-14-6-2-1-3-7-14)21-17-8-4-5-9-18(17)28-16(12-24-26-28)13-27(21)22-19(30(35)36)10-15(29(33)34)11-20(22)31(37)38/h4-5,8-12,14,21H,1-3,6-7,13H2,(H,25,32)
InChIKey BQCQNEHGHLQLOB-UHFFFAOYSA-N
Mol Weight 522.48 g/mol
Molecular Formula C23H22N8O7
Exact Mass 522.161145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bs7SQunPE
Name N-Cyclohexyl-4,5-dihydro-5-(2,4,6-trinitrophenyl)-1,2,3-triazolo[1,5-a][1,4]benzodiazepine-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N8O7
InChI InChI=1S/C23H22N8O7/c32-23(25-14-6-2-1-3-7-14)21-17-8-4-5-9-18(17)28-16(12-24-26-28)13-27(21)22-19(30(35)36)10-15(29(33)34)11-20(22)31(37)38/h4-5,8-12,14,21H,1-3,6-7,13H2,(H,25,32)
InChIKey BQCQNEHGHLQLOB-UHFFFAOYSA-N
Molecular Weight 522.478 g/mol
SMILES N(C(C1N(c2c(N(=O)=O)cc(N(=O)=O)cc2N(=O)=O)Cc2[n](nnc2)-c2c1cccc2)=O)C1CCCCC1
SPLASH splash10-0a5c-9422000000-937e81139755b30537d0
Source of Spectrum F-69-3509-5d
Synonyms N-cyclohexyl-5-(2,4,6-trinitrophenyl)-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine-6-carboxamide N-cyclohexyl-5-(2,4,6-trinitrophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-6-carboxamide N-cyclohexyl-5-(2,4,6-trinitrophenyl)-4,6-dihydro-[1,2,3]triazolo[1,5-a][1,4]benzodiazepine-6-carboxamide
Wiley ID 1738006