Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H19N5O3/c28-21(19-3-1-2-17(25-19)15-6-8-23-9-7-15)24-16-4-5-18-20(14-16)30-22(26-18)27-10-12-29-13-11-27/h1-9,14H,10-13H2,(H,24,28) |
InChIKey | InChI | 1.03 | PAUKYBZPOFBYCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccc2nc(oc2c1)N3CCOCC3)c4cccc(n4)c5ccncc5 |
SMILES | CACTVS | 3.385 | O=C(Nc1ccc2nc(oc2c1)N3CCOCC3)c4cccc(n4)c5ccncc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5 |