Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(NC(=O)C1C(C1)c2ccccc2)C(CCl)=O |
InChI | InChI | 1.03 | InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10+/m1/s1 |
InChIKey | InChI | 1.03 | MDZKSIJGAAFPGQ-ZJUUUORDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NNC(=O)[C@H]1C[C@@H]1c2ccccc2 |
SMILES | CACTVS | 3.385 | ClCC(=O)NNC(=O)[CH]1C[CH]1c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2CC2C(=O)NNC(=O)CCl |