種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H21F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h8-10,12,16,21H,2-7H2,1H3/t16-/m0/s1 |
InChIKey | InChI | 1.03 | KYFXWICBRBBWQQ-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nn1)N2CCC(CC2)C(=O)N3NCC[C@H]3c4cc(F)cc(F)c4 |
SMILES | CACTVS | 3.385 | Cc1oc(nn1)N2CCC(CC2)C(=O)N3NCC[CH]3c4cc(F)cc(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)N2CCC(CC2)C(=O)N3[C@@H](CCN3)c4cc(cc(c4)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)N2CCC(CC2)C(=O)N3C(CCN3)c4cc(cc(c4)F)F |