Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12 |
InChI | InChI | 1.06 | InChI=1S/C15H12ClN3O/c16-11-4-1-3-10(7-11)8-15(20)18-13-5-2-6-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20) |
InChIKey | InChI | 1.06 | CYQCEAJKJVOFMS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cccc3[nH]ncc23)c1 |
SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cccc3[nH]ncc23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3 |