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3-(4-METHOXYPHENYLMETHYL)-4-(3-CHLOROPHENYL)-8-OXO-4,5,6,7-TETRAHYDROCYClOPENTA-[B]-1,2,3-TRIAZOLO-[4.5-E]-PYRIDINE
SpectraBase Compound ID 7YfDdDh5U3q
InChI InChI=1S/C22H19ClN4O2/c1-29-17-10-8-14(9-11-17)13-26-22-20(24-25-26)21(28)18-6-3-7-19(18)27(22)16-5-2-4-15(23)12-16/h2,4-5,8-12H,3,6-7,13H2,1H3
InChIKey BSYDAYWMLMGARM-UHFFFAOYSA-N
Mol Weight 406.87 g/mol
Molecular Formula C22H19ClN4O2
Exact Mass 406.119654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INeBZxUBFpY
Name Cyclopenta[b]-1,2,3-triazolo[4,5-e]pyridin-8(3H)-one, 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-3-[(4-methoxyphenyl)methyl]-
CAS Registry Number 129609-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClN4O2
InChI InChI=1S/C22H19ClN4O2/c1-29-17-10-8-14(9-11-17)13-26-22-20(24-25-26)21(28)18-6-3-7-19(18)27(22)16-5-2-4-15(23)12-16/h2,4-5,8-12H,3,6-7,13H2,1H3
InChIKey BSYDAYWMLMGARM-UHFFFAOYSA-N
Molecular Weight 406.873 g/mol
SMILES c12c(nn[n]2Cc2ccc(cc2)OC)C(=O)C2=C(N1c1cc(Cl)ccc1)CCC2
SPLASH splash10-00di-0901200000-5ed30209ead72d9ec7c4
Source of Spectrum Y-27-1139-8
Synonyms 3-(4-Methoxyphenylmethyl)-4-(3-chlorophenyl)-8-oxo-4,5,6,7-tetrahydrocyclopenta[b]-1,2,3-triazolo[4,5-e]pyridine 4-(3-Chlorophenyl)-3-(4-methoxybenzyl)-4,5,6,7-tetrahydrocyclopenta[b][1,2,3]triazolo[4,5-e]pyridin-8(3H)-one
Wiley ID 1372114