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2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide

View entire compound with spectra: 1 MS (GC)

2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide
SpectraBase Compound ID 1OktdgCGMaI
InChI InChI=1S/C25H17ClF3N3O5/c26-17-7-6-15(25(27,28)29)10-18(17)30-22(33)12-31-19-4-2-1-3-16(19)23(34)32(24(31)35)11-14-5-8-20-21(9-14)37-13-36-20/h1-10H,11-13H2,(H,30,33)
InChIKey ZRNOKBATFJGUNQ-UHFFFAOYSA-N
Mol Weight 531.88 g/mol
Molecular Formula C25H17ClF3N3O5
Exact Mass 531.080883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 751dmWL6B5z
Name 2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17ClF3N3O5
InChI InChI=1S/C25H17ClF3N3O5/c26-17-7-6-15(25(27,28)29)10-18(17)30-22(33)12-31-19-4-2-1-3-16(19)23(34)32(24(31)35)11-14-5-8-20-21(9-14)37-13-36-20/h1-10H,11-13H2,(H,30,33)
InChIKey ZRNOKBATFJGUNQ-UHFFFAOYSA-N
Molecular Weight 531.875 g/mol
SMILES N(c1cc(C(F)(F)F)ccc1Cl)C(CN1C(N(C(c2c1cccc2)=O)Cc1cc2OCOc2cc1)=O)=O
SPLASH splash10-000i-4900000000-8419e6ec6bbb37b9309d
Synonyms 2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1-quinazolinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide 2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-quinazolin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-diketo-3-piperonyl-quinazolin-1-yl)acetamide
Wiley ID 1445437