Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2NC(=NC(=O)C2(c1ccccc1)N3CCC(CC3)CCO)O |
SMILES_CANONICAL | CACTVS | 3.341 | OCC[C@H]1CCN(CC1)[C@@]2(C(=O)NC(=NC2=O)O)c3ccccc3 |
SMILES | CACTVS | 3.341 | OCC[CH]1CCN(CC1)[C]2(C(=O)NC(=NC2=O)O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO |
InChI | InChI | 1.03 | InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24) |
InChIKey | InChI | 1.03 | IPBPOBHSNJFRFT-UHFFFAOYSA-N |