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A1L4S

Summary
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propoxy-quinoxalin-2-one
Formula:C20 H22 N2 O5
Formal charge:0
Formula weight:370.399 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propoxy-quinoxalin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H22N2O5/c1-4-10-27-19-20(26)22(3)13-9-8-12(11(2)17(13)21-19)18(25)16-14(23)6-5-7-15(16)24/h8-9,23H,4-7,10H2,1-3H3
InChIKeyInChI1.06GBDNDUJBQJBAOR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCOC1=Nc2c(C)c(ccc2N(C)C1=O)C(=O)C3=C(O)CCCC3=O
SMILESCACTVS3.385CCCOC1=Nc2c(C)c(ccc2N(C)C1=O)C(=O)C3=C(O)CCCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCOC1=Nc2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C
SMILESOpenEye OEToolkits2.0.7CCCOC1=Nc2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C

250835

PDB entries from 2026-03-18

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