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O7W

Summary
Name:~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide
Formula:C25 H28 N4 O2
Formal charge:0
Formula weight:416.515 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3
InChIKeyInChI1.03MYWFVOHKFIFWPL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1
SMILESCACTVS3.385CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1ccc(cc1)CN(C)C(=O)CCc2nnc(o2)CCc3c[nH]c4c3cccc4
SMILESOpenEye OEToolkits2.0.7CCc1ccc(cc1)CN(C)C(=O)CCc2nnc(o2)CCc3c[nH]c4c3cccc4

222415

数据于2024-07-10公开中

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