Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C=1CCCC=1C(=O)Nc1cc(Br)ccc1c1nc(no1)C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C18H16BrN3O4/c19-10-6-7-13(17-21-15(22-26-17)9-4-5-9)14(8-10)20-16(23)11-2-1-3-12(11)18(24)25/h6-9H,1-5H2,(H,20,23)(H,24,25) |
InChIKey | InChI | 1.06 | DVAOUWNHGPPGMZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(CCC1)C(=O)Nc2cc(Br)ccc2c3onc(n3)C4CC4 |
SMILES | CACTVS | 3.385 | OC(=O)C1=C(CCC1)C(=O)Nc2cc(Br)ccc2c3onc(n3)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)NC(=O)C2=C(CCC2)C(=O)O)c3nc(no3)C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)NC(=O)C2=C(CCC2)C(=O)O)c3nc(no3)C4CC4 |