Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc2ccc(Oc1ccncc1)cc2)c3cc(ncc3)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C21H20N4O3/c26-21(16-5-10-23-20(15-16)25-11-13-27-14-12-25)24-17-1-3-18(4-2-17)28-19-6-8-22-9-7-19/h1-10,15H,11-14H2,(H,24,26) |
InChIKey | InChI | 1.03 | DLOAYIHJIDPKJJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(Nc1ccc(Oc2ccncc2)cc1)c3ccnc(c3)N4CCOCC4 |
SMILES | CACTVS | 3.370 | O=C(Nc1ccc(Oc2ccncc2)cc1)c3ccnc(c3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4 |