GQN

4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide

Created:2018-10-04
Last modified:  2018-10-31

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count47
Aromatic Bond Count18
2D diagram of GQN

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Chemical Component Summary

Name4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
Systematic Name (OpenEye OEToolkits)4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
FormulaC21 H18 N2 O4
Molecular Weight362.379
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO
Canonical SMILESCACTVS3.385 COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO
Canonical SMILESOpenEye OEToolkits2.0.6 COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO
InChIInChI1.03 InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)
InChIKeyInChI1.03 MRHRACKJKBOJEI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3800394
PubChem 127045675
ChEMBL CHEMBL3800394