BYV
概要
| 表記: | 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile |
| 組成式: | C19 H24 N4 |
| 電荷: | 0 |
| 化学式量: | 308.421 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 | 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzenecarbonitrile |
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#Cc1cc(CCCNC)cc(c1)CCc2nc(N)cc(c2)C |
| InChI | InChI | 1.03 | InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23) |
| InChIKey | InChI | 1.03 | ZTTVVSIEPMOZBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N |
| SMILES | CACTVS | 3.385 | CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC |
