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Substance Name: 2H-1-Benzopyran-2-one, 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-
ID: DJ29791800
InChIKey: XPCRQHRLGGKEPE-UHFFFAOYSA-N

Molecular Formula

  • C22-H15-Cl-N5-O2

Molecular Weight

  • 403.8276
 
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Names and Synonyms

Synonym

  • 3-(4-Chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)coumarin

Systematic Name

  • 2H-1-Benzopyran-2-one, 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-

Registry Numbers

ID Number

  • NIOSH/DJ2979180

System Generated Number

  • DJ29791800

Structure Descriptors

InChI

1S/C21H14ClN5O2/c1-13-20(14-5-3-2-4-6-14)25-27(24-13)17-8-7-15-9-18(21(28)29-19(15)10-17)26-12-16(22)11-23-26/h2-12H,1H3

InChIKey

XPCRQHRLGGKEPE-UHFFFAOYSA-N

Smiles

Cc1nn(nc1c2ccccc2)c3ccc4C=C(C(=O)Oc4c3)n5cc(Cl)cn5