Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-8-19-11-14(15)20-16(21)10-12-5-4-6-13(18)9-12/h4-9,11H,10H2,1-3H3,(H,20,21) |
InChIKey | InChI | 1.06 | QOGVQOIEARJILE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(Cl)c2 |
SMILES | CACTVS | 3.385 | CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(c2)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(c2)Cl |