種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1c2c(ccc1)n(cc2C5CN(C4CCc3cccc(c34)F)CC5N(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1 |
InChIKey | InChI | 1.03 | XAWMNFFOVCNWGF-OIBXWCBGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@H]1CN(C[C@@H]1c2cn(C)c3ccccc23)[C@H]4CCc5cccc(F)c45 |
SMILES | CACTVS | 3.385 | CN(C)[CH]1CN(C[CH]1c2cn(C)c3ccccc23)[CH]4CCc5cccc(F)c45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)C3CN(CC3N(C)C)C4CCc5c4c(ccc5)F |