Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc(c(cc1)C)NC(=O)C3CC(=O)N(C2CCCCC2)C3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(Cl)cc1NC(=O)[C@@H]2CN(C3CCCCC3)C(=O)C2 |
SMILES | CACTVS | 3.341 | Cc1ccc(Cl)cc1NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1NC(=O)C2CC(=O)N(C2)C3CCCCC3)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | RJWMDETWDDESBP-ZDUSSCGKSA-N |