種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(N1C(C(=O)NCCC1)C)CC(N)Cc2cc(F)c(F)cc2F |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F |
SMILES | CACTVS | 3.341 | C[CH]1N(CCCNC1=O)C(=O)C[CH](N)Cc2cc(F)c(F)cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(=O)NCCCN1C(=O)CC(Cc2cc(c(cc2F)F)F)N |
InChI | InChI | 1.03 | InChI=1S/C16H20F3N3O2/c1-9-16(24)21-3-2-4-22(9)15(23)7-11(20)5-10-6-13(18)14(19)8-12(10)17/h6,8-9,11H,2-5,7,20H2,1H3,(H,21,24)/t9-,11-/m1/s1 |
InChIKey | InChI | 1.03 | SWKGZJAAGSVROJ-MWLCHTKSSA-N |