Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25) |
InChIKey | InChI | 1.06 | BJJZCSKOWCBJFK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34 |
SMILES | CACTVS | 3.385 | Clc1cccc(c1)N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl |