種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)c2nn(cc2c3cc(ncc3)C4NCCOC4)C |
InChI | InChI | 1.03 | InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3/t18-/m1/s1 |
InChIKey | InChI | 1.03 | ZVSNVLKUNCNJEG-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cn1cc(c2ccnc(c2)[C@H]3COCCN3)c(n1)c4ccc(F)cc4 |
SMILES | CACTVS | 3.370 | Cn1cc(c2ccnc(c2)[CH]3COCCN3)c(n1)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)C4COCCN4 |