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86G

Summary
Name:2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
Formula:C19 H19 N3 O2
Formal charge:0
Formula weight:321.373 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
OpenEye OEToolkits2.0.72-[3-(methoxymethyl)phenyl]-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COCc1cccc(c1)CC(=O)Nc1ccc(cc1)c1c[NH]nc1
InChIInChI1.03InChI=1S/C19H19N3O2/c1-24-13-15-4-2-3-14(9-15)10-19(23)22-18-7-5-16(6-8-18)17-11-20-21-12-17/h2-9,11-12H,10,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyInChI1.03LTOKSVFUTQZXGU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCc1cccc(CC(=O)Nc2ccc(cc2)c3c[nH]nc3)c1
SMILESCACTVS3.385COCc1cccc(CC(=O)Nc2ccc(cc2)c3c[nH]nc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COCc1cccc(c1)CC(=O)Nc2ccc(cc2)c3c[nH]nc3
SMILESOpenEye OEToolkits2.0.7COCc1cccc(c1)CC(=O)Nc2ccc(cc2)c3c[nH]nc3

223532

数据于2024-08-07公开中

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