Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C1(CC(=O)C1)c1cccc(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C17H15ClN2O2/c1-11-5-6-19-10-15(11)20-16(22)17(8-14(21)9-17)12-3-2-4-13(18)7-12/h2-7,10H,8-9H2,1H3,(H,20,22) |
InChIKey | InChI | 1.06 | NYGOHBKHNOCJCL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(c3)Cl |