3GX
概要
| 表記: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one |
| 組成式: | C15 H16 N2 O |
| 電荷: | 0 |
| 化学式量: | 240.3 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 | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one |
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=C1NC(=CC2=C1CCCN2C)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O/c1-17-9-5-8-12-14(17)10-13(16-15(12)18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,18) |
| InChIKey | InChI | 1.03 | DTMHAFMUJHYVGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCC2=C1C=C(NC2=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CN1CCCC2=C1C=C(NC2=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCCC2=C1C=C(NC2=O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCCC2=C1C=C(NC2=O)c3ccccc3 |
