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K8T

Summary
Name:2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide
Formula:C21 H20 N2 O3
Formal charge:0
Formula weight:348.395 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H20N2O3/c24-19-7-4-14-23(21(19)26)15-20(25)22-13-12-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-11,14,24H,12-13,15H2,(H,22,25)
InChIKeyInChI1.03XKRQSRFKBWMVSU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC1=CC=CN(CC(=O)NCCc2ccc(cc2)c3ccccc3)C1=O
SMILESCACTVS3.385OC1=CC=CN(CC(=O)NCCc2ccc(cc2)c3ccccc3)C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O

222624

数据于2024-07-17公开中

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