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JG1

Summary
Name:7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one
Formula:C20 H21 N3 O2
Formal charge:0
Formula weight:335.4 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one
OpenEye OEToolkits1.7.07-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)heptan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1nnc(o1)c2ncccc2)CCCCCCc3ccccc3
SMILES_CANONICALCACTVS3.370O=C(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3
SMILESCACTVS3.370O=C(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3
InChIInChI1.03InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
InChIKeyInChI1.03BYQFWIOGPFHXFV-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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