Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2cc(OCC1NCC1)cc(c2)C3CC3CCO |
InChI | InChI | 1.03 | InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1 |
InChIKey | InChI | 1.03 | FQIJPHXWIONJLF-JKOKRWQUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@H]1C[C@@H]1c2cncc(OC[C@@H]3CCN3)c2 |
SMILES | CACTVS | 3.385 | OCC[CH]1C[CH]1c2cncc(OC[CH]3CCN3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO |
SMILES | OpenEye OEToolkits | 1.9.2 | c1c(cncc1OCC2CCN2)C3CC3CCO |