Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19) |
InChIKey | InChI | 1.06 | JFRDDDWDJJFTRC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3 |
SMILES | CACTVS | 3.385 | O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3 |