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N-(4-Benzyl-7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloropropanamide

View entire compound with spectra: 1 MS (GC)

N-(4-Benzyl-7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloropropanamide
SpectraBase Compound ID FsHF7XsQO6H
InChI InChI=1S/C28H28ClN5O2/c1-36-23-14-12-22(13-15-23)25-18-24(21-10-6-3-7-11-21)33(19-20-8-4-2-5-9-20)28-31-27(32-34(25)28)30-26(35)16-17-29/h2-15,24-25H,16-19H2,1H3,(H,30,32,35)
InChIKey VFYMVTDAWZLPEF-UHFFFAOYSA-N
Mol Weight 502.02 g/mol
Molecular Formula C28H28ClN5O2
Exact Mass 501.193153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqrQqDvqTOP
Name N-(4-Benzyl-7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloropropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28ClN5O2
InChI InChI=1S/C28H28ClN5O2/c1-36-23-14-12-22(13-15-23)25-18-24(21-10-6-3-7-11-21)33(19-20-8-4-2-5-9-20)28-31-27(32-34(25)28)30-26(35)16-17-29/h2-15,24-25H,16-19H2,1H3,(H,30,32,35)
InChIKey VFYMVTDAWZLPEF-UHFFFAOYSA-N
Molecular Weight 502.018 g/mol
SMILES N(c1nc2[n](n1)C(c1ccc(cc1)OC)CC(N2Cc1ccccc1)c1ccccc1)C(CCCl)=O
SPLASH splash10-0006-9110000000-37d6f95a9f48ce1674a3
Source of Spectrum F-70-693-3g
Synonyms N-(4-benzyl-7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-chloropropanamide
Wiley ID 1742585