Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c2ccc(NCc1ccccc1)cc2)CC3NCCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | C1CN[C@H](C1)COc2ccc(NCc3ccccc3)cc2 |
SMILES | CACTVS | 3.341 | C1CN[CH](C1)COc2ccc(NCc3ccccc3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNc2ccc(cc2)OCC3CCCN3 |
InChI | InChI | 1.03 | InChI=1S/C18H22N2O/c1-2-5-15(6-3-1)13-20-16-8-10-18(11-9-16)21-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2/t17-/m1/s1 |
InChIKey | InChI | 1.03 | HITMFLNAOQIZSN-QGZVFWFLSA-N |