Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CC(O)CC1C(=O)NCc3ccc(c2ocnc2)cc3)C |
InChI | InChI | 1.03 | InChI=1S/C17H19N3O4/c1-11(21)20-9-14(22)6-15(20)17(23)19-7-12-2-4-13(5-3-12)16-8-18-10-24-16/h2-5,8,10,14-15,22H,6-7,9H2,1H3,(H,19,23)/t14-,15+/m1/s1 |
InChIKey | InChI | 1.03 | KFYARNZFJDIZMC-CABCVRRESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc2ccc(cc2)c3ocnc3 |
SMILES | CACTVS | 3.385 | CC(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3ocnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)N1CC(CC1C(=O)NCc2ccc(cc2)c3cnco3)O |