種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C24H34FN5O2/c1-4-28-10-12-29(13-11-28)22-15-21-18(14-20(22)25)23(31)19(16-30(21)17-6-7-17)24(32)26-8-5-9-27(2)3/h14-17H,4-13H2,1-3H3,(H,26,32) |
InChIKey | InChI | 1.03 | SJAQLOUTDAIPJJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN(CC1)c2cc3N(C=C(C(=O)NCCCN(C)C)C(=O)c3cc2F)C4CC4 |
SMILES | CACTVS | 3.385 | CCN1CCN(CC1)c2cc3N(C=C(C(=O)NCCCN(C)C)C(=O)c3cc2F)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C |