Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | ZVCIZCPAJITPQB-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CNC(=O)COc1cccc2cccnc12)CN3CCc4ccccc4C3 |
SMILES | CACTVS | 3.385 | O[CH](CNC(=O)COc1cccc2cccnc12)CN3CCc4ccccc4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)CCN(C2)CC(CNC(=O)COc3cccc4c3nccc4)O |