| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(cc(ccn1)C(NCCc2ccccc2)=O)c3nccc(C(=O)O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.03 | DSGOLESVOJUGOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cc(ccn2)C(=O)NCCc3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cc(ccn2)C(=O)NCCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O |
