TNH
概要
| 表記: | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide |
| 別名: | 2-{2-[(1,2,3,4-tetrahydroacridin- 9-yl)amino]hexyl}N-nicotinamide |
| 組成式: | C25 H30 N4 O |
| 電荷: | 0 |
| 化学式量: | 402.532 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NCCCCCCNc1c3ccccc3nc2c1CCCC2)c4cccnc4 |
| InChI | InChI | 1.03 | InChI=1S/C25H30N4O/c30-25(19-10-9-15-26-18-19)28-17-8-2-1-7-16-27-24-20-11-3-5-13-22(20)29-23-14-6-4-12-21(23)24/h3,5,9-11,13,15,18H,1-2,4,6-8,12,14,16-17H2,(H,27,29)(H,28,30) |
| InChIKey | InChI | 1.03 | QMTDQDYAGOQABA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCCCCNc1c2CCCCc2nc3ccccc13)c4cccnc4 |
| SMILES | CACTVS | 3.385 | O=C(NCCCCCCNc1c2CCCCc2nc3ccccc13)c4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4 |
