A1ADN
概要
| 表記: | 3-(4-methylphenyl)-2-phenylquinazolin-4(3H)-one |
| 組成式: | C21 H16 N2 O |
| 電荷: | 0 |
| 化学式量: | 312.365 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-(4-methylphenyl)-2-phenylquinazolin-4(3H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-(4-methylphenyl)-2-phenyl-quinazolin-4-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 | Cc1ccc(cc1)N1C(=Nc2ccccc2C1=O)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3 |
| InChIKey | InChI | 1.06 | QBGIEWLTLCNRED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)N2C(=O)c3ccccc3N=C2c4ccccc4 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)N2C(=O)c3ccccc3N=C2c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)N2C(=Nc3ccccc3C2=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)N2C(=Nc3ccccc3C2=O)c4ccccc4 |
