SQT
概要
| 表記: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide |
| 組成式: | C16 H19 N5 |
| 電荷: | 0 |
| 化学式量: | 281.356 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 | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide |
| OpenEye OEToolkits | 2.0.7 | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide |
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 | N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18) |
| InChIKey | InChI | 1.06 | UKIJUFIFFKYHSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(nc1)N2CCN(CC2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc(nc1)N2CCN(CC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc(nc1)N2CCN(CC2)c3ccccc3)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCN(CC2)c3ccc(cn3)C(=N)N |
