Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc3cc1c(oc(n1)c2ccncc2)cc3)C(C)Nc4cccc(c4Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H16Cl2N4O2/c1-12(25-16-4-2-3-15(22)19(16)23)20(28)26-14-5-6-18-17(11-14)27-21(29-18)13-7-9-24-10-8-13/h2-12,25H,1H3,(H,26,28)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | IMBVKBZWLRXRAW-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1cccc(Cl)c1Cl)C(=O)Nc2ccc3oc(nc3c2)c4ccncc4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1cccc(Cl)c1Cl)C(=O)Nc2ccc3oc(nc3c2)c4ccncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl |