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3-(4-Chlorophenyl)-2-(3-methylanilino)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SpectraBase Compound ID JDNOA4Pqmbm
InChI InChI=1S/C22H16ClN5O/c1-14-5-4-6-16(13-14)24-21-26-28-20(29)18-7-2-3-8-19(18)25-22(28)27(21)17-11-9-15(23)10-12-17/h2-13H,1H3,(H,24,26)
InChIKey CCMWRWWDWIEKHD-UHFFFAOYSA-N
Mol Weight 401.86 g/mol
Molecular Formula C22H16ClN5O
Exact Mass 401.104338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWQpjtmq3i8
Name 3-(4-Chlorophenyl)-2-(3-methylanilino)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16ClN5O
InChI InChI=1S/C22H16ClN5O/c1-14-5-4-6-16(13-14)24-21-26-28-20(29)18-7-2-3-8-19(18)25-22(28)27(21)17-11-9-15(23)10-12-17/h2-13H,1H3,(H,24,26)
InChIKey CCMWRWWDWIEKHD-UHFFFAOYSA-N
Molecular Weight 401.857 g/mol
SMILES N(C1=NN2C(=Nc3c(C2=O)cccc3)N1c1ccc(cc1)Cl)c1cc(ccc1)C
SPLASH splash10-0udi-0910400000-0be1946d299a145b427d
Source of Spectrum K1-2004-3876-7
Synonyms 3-(4-Chlorophenyl)-2-(m-toluidino)-[1,2,4]triazolo[5,1-b]quinazolin-9-one 3-(4-Chlorophenyl)-2-[(3-methylphenyl)amino]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Wiley ID 1561585