Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)N)C(O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n2cnc(c2)C(N)=O |
SMILES | CACTVS | 3.341 | C[CH](O)[CH](CCc1cccc(Cl)c1Cl)n2cnc(c2)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O |
InChI | InChI | 1.03 | InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1 |
InChIKey | InChI | 1.03 | HCJYSIGJDKNVRU-TVQRCGJNSA-N |