種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C19H22F2N2O2/c1-2-17(24)23(16-7-8-16)18(12-9-13(20)11-14(21)10-12)19(25)22-15-5-3-4-6-15/h2,9-11,15-16,18H,1,3-8H2,(H,22,25)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | VMRIFQHBFDXKML-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(F)cc(c1)[C@@H](N(C2CC2)C(=O)C=C)C(=O)NC3CCCC3 |
SMILES | CACTVS | 3.385 | Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)C=C)C(=O)NC3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N(C1CC1)[C@H](c2cc(cc(c2)F)F)C(=O)NC3CCCC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N(C1CC1)C(c2cc(cc(c2)F)F)C(=O)NC3CCCC3 |