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CHEBI:116790 - 3-[1-azepanyl-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl]-6,7-dimethoxy-1H-quinolin-2-one

ChEBI IDCHEBI:116790
ChEBI Name3-[1-azepanyl-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
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DownloadsMolfile
FormulaC26H29FN6O3
Net Charge0
Average Mass492.555
Monoisotopic Mass492.22852
SMILESCOc1cc2cc(C(c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)c(=O)nc2cc1OC
InChIInChI=1S/C26H29FN6O3/c1-35-22-14-18-13-20(26(34)28-21(18)15-23(22)36-2)24(32-11-5-3-4-6-12-32)25-29-30-31-33(25)16-17-7-9-19(27)10-8-17/h7-10,13-15,24H,3-6,11-12,16H2,1-2H3,(H,28,34)
InChIKeyCLUIEZZJGGDIBJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[1-azepanyl-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl]-6,7-dimethoxy-1H-quinolin-2-one (CHEBI:116790) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-28242LINCS