種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1 |
InChI | InChI | 1.06 | InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | XINQPEYJNGXEFY-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)[C@H](NC(=O)NC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3 |
SMILES | CACTVS | 3.385 | ONC(=O)[CH](NC(=O)NC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)NC3CCCC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)NC3CCCC3 |