Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26) |
InChIKey | InChI | 1.06 | NJCJNBJGRFJESB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |