Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c2ccc(Cl)cc2 |
SMILES | CACTVS | 3.341 | CC[C]1([CH](C)C1(Cl)Cl)C(=O)N[CH](C)c2ccc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1 |
InChIKey | InChI | 1.03 | RXDMAYSSBPYBFW-RULNRJAQSA-N |