FOY
概要
表記: | 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one |
組成式: | C17 H16 N2 O2 |
電荷: | 0 |
化学式量: | 280.321 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-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one |
OpenEye OEToolkits | 2.0.6 | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(phenylmethyl)pyridin-2-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=C2N(Cc1ccccc1)C=C(C=C2)c3c(C)onc3C |
InChI | InChI | 1.03 | InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3 |
InChIKey | InChI | 1.03 | CIJOVPIWGFQZFF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2 |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3 |