Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OCC |
InChI | InChI | 1.06 | InChI=1S/C17H19N3O4/c1-2-23-14-8-12-10(7-13(14)16(18)22)5-6-19-17(12)24-9-11-3-4-15(21)20-11/h5-8,11H,2-4,9H2,1H3,(H2,18,22)(H,20,21)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | WMLLUHFTFWNDCD-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |
SMILES | CACTVS | 3.385 | CCOc1cc2c(OC[CH]3CCC(=O)N3)nccc2cc1C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc2c(ccnc2OCC3CCC(=O)N3)cc1C(=O)N |