種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c4(C#N)ccc1c(cc(cc1Oc3ccccc3OCCN2C=CC(NC2=O)=O)F)c4 |
InChI | InChI | 1.03 | InChI=1S/C23H16FN3O4/c24-17-12-16-11-15(14-25)5-6-18(16)21(13-17)31-20-4-2-1-3-19(20)30-10-9-27-8-7-22(28)26-23(27)29/h1-8,11-13H,9-10H2,(H,26,28,29) |
InChIKey | InChI | 1.03 | CZZSYVLCOGCXLL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c4ccc(cc4c1)C#N |
SMILES | CACTVS | 3.385 | Fc1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c4ccc(cc4c1)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F |