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AEU

Summary
Name:N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine
Formula:C24 H19 N3 O
Formal charge:0
Formula weight:365.427 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine
OpenEye OEToolkits2.0.6~{N}-[(3-phenoxyphenyl)methyl]-9~{H}-pyrido[3,4-b]indol-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c5c(cc(n1)NCc2cccc(c2)Oc3ccccc3)c4ccccc4n5
InChIInChI1.03InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26)
InChIKeyInChI1.03DMCDUELFWCRWHE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C(Nc1cc2c([nH]c3ccccc23)cn1)c4cccc(Oc5ccccc5)c4
SMILESCACTVS3.385C(Nc1cc2c([nH]c3ccccc23)cn1)c4cccc(Oc5ccccc5)c4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3

222926

数据于2024-07-24公开中

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