| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1ncccc1C(=O)N(C)C(C)C(=O)Nc1cc(Cl)cc(c1)c1ncc[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C20H18ClN5O4/c1-11(26(2)19(28)15-4-3-5-22-16(15)20(29)30)18(27)25-14-9-12(8-13(21)10-14)17-23-6-7-24-17/h3-11H,1-2H3,(H,23,24)(H,25,27)(H,29,30)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | NOHBZQQIHRILRX-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N(C)C(=O)c1cccnc1C(O)=O)C(=O)Nc2cc(Cl)cc(c2)c3[nH]ccn3 |
| SMILES | CACTVS | 3.385 | C[CH](N(C)C(=O)c1cccnc1C(O)=O)C(=O)Nc2cc(Cl)cc(c2)c3[nH]ccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](C(=O)Nc1cc(cc(c1)Cl)c2[nH]ccn2)N(C)C(=O)c3cccnc3C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(=O)Nc1cc(cc(c1)Cl)c2[nH]ccn2)N(C)C(=O)c3cccnc3C(=O)O |
