種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4 |
InChI | InChI | 1.03 | InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3 |
InChIKey | InChI | 1.03 | XKVXUSFQFBIYEQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(c(O)c2cnoc12)C(=O)N3Cc4ccc(F)cc4C3 |
SMILES | CACTVS | 3.385 | CC(C)c1cc(c(O)c2cnoc12)C(=O)N3Cc4ccc(F)cc4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F |