Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H32N4O3/c1-3-10-31-24(30)27-8-9-28(16(2)15-27)23(29)20-7-6-19-12-18-5-4-17(14-25)11-21(18)26-22(19)13-20/h6-7,12-13,16-17H,3-5,8-11,14-15,25H2,1-2H3/t16-,17+/m0/s1 |
InChIKey | InChI | 1.03 | SKXOWPNKAZGYJW-DLBZAZTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c2ccc3cc4CC[C@@H](CN)Cc4nc3c2 |
SMILES | CACTVS | 3.385 | CCCOC(=O)N1CCN([CH](C)C1)C(=O)c2ccc3cc4CC[CH](CN)Cc4nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCOC(=O)N1CCN([C@H](C1)C)C(=O)c2ccc3cc4c(nc3c2)C[C@@H](CC4)CN |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCOC(=O)N1CCN(C(C1)C)C(=O)c2ccc3cc4c(nc3c2)CC(CC4)CN |