| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCC(=O)N(C1)Cc1cc(Cl)c2c[NH]nc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H15ClN4O2/c15-11-3-8(4-12-10(11)5-17-18-12)6-19-7-9(14(16)21)1-2-13(19)20/h3-5,9H,1-2,6-7H2,(H2,16,21)(H,17,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | BDECSFSJDRQDHY-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCC(=O)N(C1)Cc2cc(Cl)c3c[nH]nc3c2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCC(=O)N(C1)Cc2cc(Cl)c3c[nH]nc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(cc(c2c1n[nH]c2)Cl)CN3C[C@H](CCC3=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(cc(c2c1n[nH]c2)Cl)CN3CC(CCC3=O)C(=O)N |
