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N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
SpectraBase Compound ID 1wKDWjjSZWv
InChI InChI=1S/C22H24ClN5O2/c1-30-19-11-9-18(10-12-19)28(22(29)24-17-7-5-6-16(23)14-17)15-21-26-25-20-8-3-2-4-13-27(20)21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,29)
InChIKey XVVFAULNAMRMGI-UHFFFAOYSA-N
Mol Weight 425.92 g/mol
Molecular Formula C22H24ClN5O2
Exact Mass 425.161853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4T2hnli89d
Name 3-(3-Chlorophenyl)-1-(4-methoxyphenyl)-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 C22H24ClN5O2
InChI InChI=1S/C22H24ClN5O2/c1-30-19-11-9-18(10-12-19)28(22(29)24-17-7-5-6-16(23)14-17)15-21-26-25-20-8-3-2-4-13-27(20)21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,29)
InChIKey XVVFAULNAMRMGI-UHFFFAOYSA-N
Molecular Weight 425.920 g/mol
SMILES N(C(N(Cc1[n]2c(CCCCC2)nn1)c1ccc(cc1)OC)=O)c1cc(Cl)ccc1
SPLASH splash10-0uk9-9620000000-86b3f93de226d8a3a033
Wiley ID 1466253