Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c3nccn3c(c1)c2cccc(O)c2)Nc4ccc(N(CC)CCO)cc4 |
InChI | InChI | 1.03 | InChI=1S/C22H23N5O2/c1-2-26(12-13-28)18-8-6-17(7-9-18)25-21-22-23-10-11-27(22)20(15-24-21)16-4-3-5-19(29)14-16/h3-11,14-15,28-29H,2,12-13H2,1H3,(H,24,25) |
InChIKey | InChI | 1.03 | HNXXZSFGRGLZTI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCN(CCO)c1ccc(Nc2ncc(n3ccnc23)c4cccc(O)c4)cc1 |
SMILES | CACTVS | 3.370 | CCN(CCO)c1ccc(Nc2ncc(n3ccnc23)c4cccc(O)c4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O |