Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c1c(cccc1)Cl)N2c5n(c3c(C2=O)cccc3)c(c4cccc(c4O)OC)nn5 |
InChI | InChI | 1.03 | InChI=1S/C23H17ClN4O3/c1-31-19-12-6-9-16(20(19)29)21-25-26-23-27(13-14-7-2-4-10-17(14)24)22(30)15-8-3-5-11-18(15)28(21)23/h2-12,29H,13H2,1H3 |
InChIKey | InChI | 1.03 | MUHNHVCFKYIXPU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1O)c2nnc3N(Cc4ccccc4Cl)C(=O)c5ccccc5n23 |
SMILES | CACTVS | 3.385 | COc1cccc(c1O)c2nnc3N(Cc4ccccc4Cl)C(=O)c5ccccc5n23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl |