Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | O=C(Cc1cc(ccc1Cl)C(F)(F)F)N1CCCC(C1)C(N)=O |
InChI | InChI | 1.06 | InChI=1S/C15H16ClF3N2O2/c16-12-4-3-11(15(17,18)19)6-10(12)7-13(22)21-5-1-2-9(8-21)14(20)23/h3-4,6,9H,1-2,5,7-8H2,(H2,20,23)/t9-/m0/s1 |
InChIKey | InChI | 1.06 | PQWPTZNVERXTJW-VIFPVBQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc(ccc2Cl)C(F)(F)F |
SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc(ccc2Cl)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(F)(F)F)CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C(F)(F)F)CC(=O)N2CCCC(C2)C(=O)N)Cl |