L8C
N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Created: | 2022-02-28 |
Last modified: | 2022-04-06 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 0 |
Bond Count | 38 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
Systematic Name (OpenEye OEToolkits) | 4-[(4-methylpiperazin-1-yl)methyl]-~{N}-oxidanyl-benzamide |
Formula | C13 H19 N3 O2 |
Molecular Weight | 249.309 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | ONC(=O)c1ccc(cc1)CN1CCN(C)CC1 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO |
Canonical SMILES | CACTVS | 3.385 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17) |
InChIKey | InChI | 1.03 | VMDZCGSWWDTUMR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 163183437 |