Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(O)c2ccncc2)CCN3CCCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](c1ccncc1)c2ccc(OCCN3CCCC3)cc2 |
SMILES | CACTVS | 3.341 | O[CH](c1ccncc1)c2ccc(OCCN3CCCC3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(c2ccncc2)O)OCCN3CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1 |
InChIKey | InChI | 1.03 | QQRJWLDQBNAQCC-GOSISDBHSA-N |