FSU

2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

Created: 2015-04-15
Last modified:  2015-08-12

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count6
2D diagram of FSU

Chemical Component Summary

Name2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
Systematic Name (OpenEye OEToolkits)2-(3-methoxypropyl)-3-oxidanylidene-1H-isoindole-4-carboxamide
FormulaC13 H16 N2 O3
Molecular Weight248.278
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COCCCN1Cc2cccc(C(N)=O)c2C1=O
SMILESOpenEye OEToolkits1.7.6COCCCN1Cc2cccc(c2C1=O)C(=O)N
Canonical SMILESCACTVS3.385 COCCCN1Cc2cccc(C(N)=O)c2C1=O
Canonical SMILESOpenEye OEToolkits1.7.6 COCCCN1Cc2cccc(c2C1=O)C(=O)N
InChIInChI1.03 InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)
InChIKeyInChI1.03 VARCSQSOWLMGTH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3605967
PubChem 20854918
ChEMBL CHEMBL3605967