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LQ7

Summary
Name:N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
Formula:C23 H26 N2 O2 S
Formal charge:0
Formula weight:394.53 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
OpenEye OEToolkits2.0.7~{N}-(3-azanylpropyl)-2-[(3-methylphenyl)methoxy]-~{N}-(thiophen-2-ylmethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3)CCCN
InChIInChI1.03InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
InChIKeyInChI1.03LCQJRANJHOEQFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc3sccc3)c1
SMILESCACTVS3.385Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc3sccc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3

222624

數據於2024-07-17公開中

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