9P7

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Summary

Name:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
Formula:C20 H20 N4
Formal charge:0
Molecular weight:316.4 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
OpenEye OEToolkits2.0.64-[2-[(2-azanylquinolin-7-yl)methylamino]ethyl]-2-methyl-benzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c31nc(ccc1ccc(CNCCc2cc(c(C#N)cc2)C)c3)N
InChIInChI1.03InChI=1S/C20H20N4/c1-14-10-15(2-5-18(14)12-21)8-9-23-13-16-3-4-17-6-7-20(22)24-19(17)11-16/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
InChIKeyInChI1.03OFELXUWNGBXCPK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(CCNCc2ccc3ccc(N)nc3c2)ccc1C#N
SMILESCACTVS3.385Cc1cc(CCNCc2ccc3ccc(N)nc3c2)ccc1C#N
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits2.0.6Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N