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 | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 0 |
Bond Count | 35 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide |
Systematic Name (OpenEye OEToolkits) | 2-(3-methoxypropyl)-3-oxidanylidene-1H-isoindole-4-carboxamide |
Formula | C13 H16 N2 O3 |
Molecular Weight | 248.278 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COCCCN1Cc2cccc(C(N)=O)c2C1=O |
SMILES | OpenEye OEToolkits | 1.7.6 | COCCCN1Cc2cccc(c2C1=O)C(=O)N |
Canonical SMILES | CACTVS | 3.385 | COCCCN1Cc2cccc(C(N)=O)c2C1=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | COCCCN1Cc2cccc(c2C1=O)C(=O)N |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | VARCSQSOWLMGTH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3605967 |
PubChem | 20854918 |
ChEMBL | CHEMBL3605967 |