Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1Cl)C3c2c(cccc2)C(NC)CC3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13 |
SMILES | CACTVS | 3.341 | CN[CH]1CC[CH](c2ccc(Cl)c(Cl)c2)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 |
InChIKey | InChI | 1.03 | VGKDLMBJGBXTGI-SJCJKPOMSA-N |