Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)CN1CCC2N(C)C(=O)C(Cc3ccccc3)N(C)C(=O)C21 |
InChI | InChI | 1.06 | InChI=1S/C23H25Cl2N3O2/c1-26-19-8-9-28(14-16-10-17(24)13-18(25)11-16)21(19)23(30)27(2)20(22(26)29)12-15-6-4-3-5-7-15/h3-7,10-11,13,19-21H,8-9,12,14H2,1-2H3/t19-,20+,21+/m1/s1 |
InChIKey | InChI | 1.06 | MWJQVEWYXAWYBM-HKBOAZHASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3)[C@@H]2C(=O)N(C)[C@@H](Cc4ccccc4)C1=O |
SMILES | CACTVS | 3.385 | CN1[CH]2CCN(Cc3cc(Cl)cc(Cl)c3)[CH]2C(=O)N(C)[CH](Cc4ccccc4)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@@H]2CCN([C@@H]2C(=O)N([C@H](C1=O)Cc3ccccc3)C)Cc4cc(cc(c4)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C2CCN(C2C(=O)N(C(C1=O)Cc3ccccc3)C)Cc4cc(cc(c4)Cl)Cl |