| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | WFXIHQFRQPGCCR-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(C(=O)c1ccccc1OC)c2cc3N(C)C(=O)N(C)c3cc2N4CCNC[C@H]4C |
| SMILES | CACTVS | 3.385 | CCN(C(=O)c1ccccc1OC)c2cc3N(C)C(=O)N(C)c3cc2N4CCNC[CH]4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN(c1cc2c(cc1N3CCNCC3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC |
