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P64

Summary
Name:7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
Formula:C20 H24 N4
Formal charge:0
Formula weight:320.431 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
OpenEye OEToolkits2.0.67-[[2-[4-(dimethylamino)phenyl]ethylamino]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C
InChIInChI1.03InChI=1S/C20H24N4/c1-24(2)18-8-4-15(5-9-18)11-12-22-14-16-3-6-17-7-10-20(21)23-19(17)13-16/h3-10,13,22H,11-12,14H2,1-2H3,(H2,21,23)
InChIKeyInChI1.03SYHMYZCWRIEYOI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1
SMILESCACTVS3.385CN(C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits2.0.6CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N

222415

数据于2024-07-10公开中

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