W26
Summary
Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide |
Formula: | C13 H15 N3 O3 |
Formal charge: | 0 |
Formula weight: | 261.276 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C13H15N3O3/c1-7-6-8(14)2-3-9(7)12(18)15-10-4-5-11(17)16-13(10)19/h2-3,6,10H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t10-/m0/s1 |
InChIKey | InChI | 1.06 | BUTHFOQUICVORE-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)ccc1C(=O)N[C@H]2CCC(=O)NC2=O |
SMILES | CACTVS | 3.385 | Cc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C(=O)N[C@H]2CCC(=O)NC2=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C(=O)NC2CCC(=O)NC2=O)N |