| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C=3C(=O)c1c(cc(c(F)c1)N2CCNCC2)N(C=3)C4CC4 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O |
| SMILES | CACTVS | 3.370 | OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4 |
| InChI | InChI | 1.03 | InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) |
| InChIKey | InChI | 1.03 | MYSWGUAQZAJSOK-UHFFFAOYSA-N |
