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AWR

Summary
Name:4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine
Formula:C17 H18 F3 N3 O
Formal charge:0
Formula weight:337.34 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[7-methoxy-1-(trifluoromethyl)-9H-beta-carbolin-9-yl]butan-1-amine
OpenEye OEToolkits1.7.64-[7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]butan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c3nccc2c1c(cc(OC)cc1)n(c23)CCCCN
InChIInChI1.03InChI=1S/C17H18F3N3O/c1-24-11-4-5-12-13-6-8-22-16(17(18,19)20)15(13)23(14(12)10-11)9-3-2-7-21/h4-6,8,10H,2-3,7,9,21H2,1H3
InChIKeyInChI1.03JVBWXORXTBDUMH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2c(c1)n(CCCCN)c3c2ccnc3C(F)(F)F
SMILESCACTVS3.385COc1ccc2c(c1)n(CCCCN)c3c2ccnc3C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F

222415

數據於2024-07-10公開中

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