Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O)NCCO |
SMILES_CANONICAL | CACTVS | 3.352 | OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c4cccc(Br)c4 |
SMILES | CACTVS | 3.352 | OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c4cccc(Br)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O |
InChI | InChI | 1.03 | InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2 |
InChIKey | InChI | 1.03 | JZCUVYNOSDWORZ-UHFFFAOYSA-N |