Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1 |
InChI | InChI | 1.06 | InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25) |
InChIKey | InChI | 1.06 | WSKNAZVGFRRIPT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12 |
SMILES | CACTVS | 3.385 | OC(=O)CCCCCNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1CC(=O)NCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1CC(=O)NCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br |