| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cn1c2ccccc2nc1C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H20N4O2/c1-11-18-13-6-2-3-7-14(13)20(11)10-15(21)19-8-4-5-12(9-19)16(17)22/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,17,22)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | PRVGSTBOTABTCE-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccccc2n1CC(=O)N3CCC[C@@H](C3)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1nc2ccccc2n1CC(=O)N3CCC[CH](C3)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1nc2ccccc2n1CC(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1nc2ccccc2n1CC(=O)N3CCCC(C3)C(=O)N |
