Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cccc(Cl)c1)N3CCN(c2ccc(C(=O)C)cc2)CC3 |
InChI | InChI | 1.03 | InChI=1S/C19H19ClN2O2/c1-14(23)15-5-7-18(8-6-15)21-9-11-22(12-10-21)19(24)16-3-2-4-17(20)13-16/h2-8,13H,9-12H2,1H3 |
InChIKey | InChI | 1.03 | RCHDWCNBGCYJNK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl |