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2H-1-Benzopyran-3-carboxamide, N-[[4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl]methyl]-2-oxo-
SpectraBase Compound ID 6oNUYSz8lMj
InChI InChI=1S/C21H16ClN3O3/c22-17-11-24-25(13-17)12-15-7-5-14(6-8-15)10-23-20(26)18-9-16-3-1-2-4-19(16)28-21(18)27/h1-9,11,13H,10,12H2,(H,23,26)
InChIKey VMYGKGKRERQAAD-UHFFFAOYSA-N
Mol Weight 393.83 g/mol
Molecular Formula C21H16ClN3O3
Exact Mass 393.088019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiBaS4LeTrF
Name 2H-1-Benzopyran-3-carboxamide, N-[[4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl]methyl]-2-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClN3O3
InChI InChI=1S/C21H16ClN3O3/c22-17-11-24-25(13-17)12-15-7-5-14(6-8-15)10-23-20(26)18-9-16-3-1-2-4-19(16)28-21(18)27/h1-9,11,13H,10,12H2,(H,23,26)
InChIKey VMYGKGKRERQAAD-UHFFFAOYSA-N
Molecular Weight 393.830 g/mol
SMILES N(C(C=1C(Oc2c(C1)cccc2)=O)=O)Cc1ccc(C[n]2ncc(c2)Cl)cc1
SPLASH splash10-006x-6970000000-880ffce8095188523f52
Source of Spectrum IY-2-4962-6
Synonyms N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2-oxo-2H-chromene-3-carboxamide N-[[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]methyl]-2-oxo-1-benzopyran-3-carboxamide N-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methyl]-2-oxochromene-3-carboxamide N-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methyl]-2-oxo-chromene-3-carboxamide N-[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]methyl]-2-oxidanylidene-chromene-3-carboxamide
Wiley ID 1657609