種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C22H25N3O2/c1-14-5-8-17(9-6-14)23(3)22(27)16-7-12-19-20(13-16)25(18-10-11-18)15(2)21(26)24(19)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1 |
InChIKey | InChI | 1.03 | BFUVXHIKTHZHOZ-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1N(C2CC2)c3cc(ccc3N(C)C1=O)C(=O)N(C)c4ccc(C)cc4 |
SMILES | CACTVS | 3.385 | C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)C(=O)N(C)c4ccc(C)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4 |