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6M8

Summary
Name:7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
Formula:C20 H23 N3 O
Formal charge:0
Formula weight:321.416 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.67-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
InChIKeyInChI1.03TTZAIJYOUAIUID-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
SMILESCACTVS3.385CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits1.7.6CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N

222415

數據於2024-07-10公開中

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