Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1Cl)c4ccc(Oc3ccc(C(=O)C)cc3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)c1ccc(Oc2ccc(cc2)c3ccc(n3CC(=O)NC(N)=N)c4ccccc4Cl)cc1 |
SMILES | CACTVS | 3.341 | CC(=O)c1ccc(Oc2ccc(cc2)c3ccc(n3CC(=O)NC(N)=N)c4ccccc4Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C |
InChI | InChI | 1.03 | InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34) |
InChIKey | InChI | 1.03 | MIEKBLPHNQZVQQ-UHFFFAOYSA-N |