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WXN

Summary
Name:3-(((2-cycloheptylethyl)(methyl)amino)methyl)-N-methyl-1H-indol-7-amine
Synonyms:3-[[2-cycloheptylethyl(methyl)amino]methyl]-N-methyl-1H-indol-7-amine
Formula:C20 H31 N3
Formal charge:0
Formula weight:313.48 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[[2-cycloheptylethyl(methyl)amino]methyl]-~{N}-methyl-1~{H}-indol-7-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H31N3/c1-21-19-11-7-10-18-17(14-22-20(18)19)15-23(2)13-12-16-8-5-3-4-6-9-16/h7,10-11,14,16,21-22H,3-6,8-9,12-13,15H2,1-2H3
InChIKeyInChI1.06BPPWCTYSUCXUIN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12
SMILESCACTVS3.385CNc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12
SMILES_CANONICALOpenEye OEToolkits2.0.7CNc1cccc2c1[nH]cc2CN(C)CCC3CCCCCC3
SMILESOpenEye OEToolkits2.0.7CNc1cccc2c1[nH]cc2CN(C)CCC3CCCCCC3

226707

PDB entries from 2024-10-30

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