| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1cccc(c1)n2c(c(C(O)=O)cn2)OCCCCc4c3ccccc3nc4 |
| InChI | InChI | 1.03 | InChI=1S/C22H21N3O3/c26-22(27)19-15-24-25(17-9-2-1-3-10-17)21(19)28-13-7-6-8-16-14-23-20-12-5-4-11-18(16)20/h1-5,9-12,14-15,23H,6-8,13H2,(H,26,27) |
| InChIKey | InChI | 1.03 | AETXYNJTNADCGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cnn(c2ccccc2)c1OCCCCc3c[nH]c4ccccc34 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cnn(c2ccccc2)c1OCCCCc3c[nH]c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4 |
