EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121422 - 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide

ChEBI IDCHEBI:121422
ChEBI Name5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide
Stars
DownloadsMolfile
FormulaC21H23N5O5
Net Charge0
Average Mass425.445
Monoisotopic Mass425.16992
SMILESCOc1ccc(CCNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2N)cc1OC
InChIInChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27)
InChIKeyGFTDUGFNPKHYDV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide (CHEBI:121422) is a dimethoxybenzene (CHEBI:51681)
Manual XrefsDatabases
LSM-32865LINCS