Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1 |
InChI | InChI | 1.06 | InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1 |
InChIKey | InChI | 1.06 | AATSBPIJUYIMKX-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C(=O)Nc1cnncc1C)c2cccc(Cl)c2 |
SMILES | CACTVS | 3.385 | CC[CH](C(=O)Nc1cnncc1C)c2cccc(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](c1cccc(c1)Cl)C(=O)Nc2cnncc2C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1cccc(c1)Cl)C(=O)Nc2cnncc2C |