Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc2ccc(Oc1ccncc1)cc2)c3cccc(c3)n4cc(nc4)C |
InChI | InChI | 1.03 | InChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27) |
InChIKey | InChI | 1.03 | TXKSFDQJSFSHRB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(Oc4ccncc4)cc3 |
SMILES | CACTVS | 3.385 | Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(Oc4ccncc4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4 |