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N'-(3,4-dichlorophenyl)-N-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID KMXCqgB9GvO
InChI InChI=1S/C21H21Cl2N5O/c22-17-11-10-15(13-18(17)23)24-21(29)28(16-7-3-1-4-8-16)14-20-26-25-19-9-5-2-6-12-27(19)20/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,24,29)
InChIKey KXURMIGWWSNFBN-UHFFFAOYSA-N
Mol Weight 430.34 g/mol
Molecular Formula C21H21Cl2N5O
Exact Mass 429.112316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0bnn3RZdIG
Name 3-(3,4-dichlorophenyl)-1-phenyl-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 C21H21Cl2N5O
InChI InChI=1S/C21H21Cl2N5O/c22-17-11-10-15(13-18(17)23)24-21(29)28(16-7-3-1-4-8-16)14-20-26-25-19-9-5-2-6-12-27(19)20/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,24,29)
InChIKey KXURMIGWWSNFBN-UHFFFAOYSA-N
Molecular Weight 430.339 g/mol
SMILES N(C(N(Cc1[n]2c(CCCCC2)nn1)c1ccccc1)=O)c1cc(Cl)c(cc1)Cl
SPLASH splash10-000i-8910000000-eeebf0158191bf9b5484
Wiley ID 1466252