| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cnc(c1)NCC2CCCC(C2)CN)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H22N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h4-5,9-11H,1-3,6-8,15H2,(H2,16,19)(H,17,18)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | UUTSJGSKPMLQOF-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H]1CCC[C@@H](CNc2ccc(cn2)C(N)=O)C1 |
| SMILES | CACTVS | 3.385 | NC[CH]1CCC[CH](CNc2ccc(cn2)C(N)=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1C(=O)N)NCC2CCCC(C2)CN |
