Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C16H16ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22) |
InChIKey | InChI | 1.06 | WXIMHLJBEWNBSA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3 |
SMILES | CACTVS | 3.385 | Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)Cl |