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CHEBI:94222 - 4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

ChEBI IDCHEBI:94222
ChEBI Name4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
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FormulaC21H20BrNO2
Net Charge0
Average Mass398.300
Monoisotopic Mass397.06774
SMILESCc1cc(C)c2c(c1)NC(c1cc3c(cc1Br)OCO3)C1CC=CC21
InChIInChI=1S/C21H20BrNO2/c1-11-6-12(2)20-13-4-3-5-14(13)21(23-17(20)7-11)15-8-18-19(9-16(15)22)25-10-24-18/h3-4,6-9,13-14,21,23H,5,10H2,1-2H3
InChIKeyKCONBCAFNVTJDZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:94222) is a quinolines (CHEBI:26513)
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LSM-4845LINCS