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41Z

Summary
Name:4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide
Formula:C20 H21 N3 O
Formal charge:0
Formula weight:319.4 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide
OpenEye OEToolkits1.9.24-[(2,6-dimethylphenyl)methylamino]-2-methyl-quinoline-8-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cccc2c(cc(nc12)C)NCc3c(cccc3C)C)N
InChIInChI1.03InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23)
InChIKeyInChI1.03QTUZZGDVIHVSHA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(NCc2c(C)cccc2C)c3cccc(C(N)=O)c3n1
SMILESCACTVS3.385Cc1cc(NCc2c(C)cccc2C)c3cccc(C(N)=O)c3n1
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C
SMILESOpenEye OEToolkits1.9.2Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C

222415

数据于2024-07-10公开中

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