| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccncc1C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H19N3O2/c1-10-8-16-5-4-11(10)7-13(18)17-6-2-3-12(9-17)14(15)19/h4-5,8,12H,2-3,6-7,9H2,1H3,(H2,15,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | CGUHDJYKIPZZJZ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnccc1CC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1cnccc1CC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cnccc1CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cnccc1CC(=O)N2CCCC(C2)C(=O)N |
