Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)CN(Cc2ccc(Cl)cc2)CCCC(=O)NO |
SMILES_CANONICAL | CACTVS | 3.370 | ONC(=O)CCCN(Cc1ccc(Cl)cc1)Cc2ccc(Cl)cc2 |
SMILES | CACTVS | 3.370 | ONC(=O)CCCN(Cc1ccc(Cl)cc1)Cc2ccc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H20Cl2N2O2/c19-16-7-3-14(4-8-16)12-22(11-1-2-18(23)21-24)13-15-5-9-17(20)10-6-15/h3-10,24H,1-2,11-13H2,(H,21,23) |
InChIKey | InChI | 1.03 | DFRQCUSEVBJDPJ-UHFFFAOYSA-N |