種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2(cn1c(CNC)nnc1cc2)c3ccc(cc3OCCc4c(nn(c4C)C)C(N5CCOCC5)=O)F |
InChI | InChI | 1.03 | InChI=1S/C26H30FN7O3/c1-17-20(25(31-32(17)3)26(35)33-9-12-36-13-10-33)8-11-37-22-14-19(27)5-6-21(22)18-4-7-23-29-30-24(15-28-2)34(23)16-18/h4-7,14,16,28H,8-13,15H2,1-3H3 |
InChIKey | InChI | 1.03 | NIWAAHIPMDGEGU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCc1nnc2ccc(cn12)c3ccc(F)cc3OCCc4c(C)n(C)nc4C(=O)N5CCOCC5 |
SMILES | CACTVS | 3.385 | CNCc1nnc2ccc(cn12)c3ccc(F)cc3OCCc4c(C)n(C)nc4C(=O)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F |