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N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID 3GaAEhprJjd
InChI InChI=1S/C21H20Cl3N5O/c22-14-5-8-16(9-6-14)29(21(30)25-15-7-10-17(23)18(24)12-15)13-20-27-26-19-4-2-1-3-11-28(19)20/h5-10,12H,1-4,11,13H2,(H,25,30)
InChIKey LBVYHFOFQQNAAI-UHFFFAOYSA-N
Mol Weight 464.78 g/mol
Molecular Formula C21H20Cl3N5O
Exact Mass 463.073343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1TVazayVsm
Name 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20Cl3N5O
InChI InChI=1S/C21H20Cl3N5O/c22-14-5-8-16(9-6-14)29(21(30)25-15-7-10-17(23)18(24)12-15)13-20-27-26-19-4-2-1-3-11-28(19)20/h5-10,12H,1-4,11,13H2,(H,25,30)
InChIKey LBVYHFOFQQNAAI-UHFFFAOYSA-N
Molecular Weight 464.784 g/mol
SMILES N(C(N(Cc1[n]2c(CCCCC2)nn1)c1ccc(cc1)Cl)=O)c1cc(Cl)c(cc1)Cl
SPLASH splash10-0079-9800000000-7c435ceaf41ab69a5f35
Wiley ID 1466209