Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCC)N3CCC(N(Cc1ccccc1)C(Nc2cc(Cl)c(Cl)cc2)=O)CC3 |
InChI | InChI | 1.03 | InChI=1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29) |
InChIKey | InChI | 1.03 | VPHJABWIKCBGMC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.385 | CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl |