Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1nccc(c1)NC(=O)c1cn2nc(cc2cc1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C19H13ClN4O/c20-18-10-15(8-9-21-18)22-19(25)14-6-7-16-11-17(23-24(16)12-14)13-4-2-1-3-5-13/h1-12H,(H,21,22,25) |
InChIKey | InChI | 1.03 | DPLIZFKHTDLAGO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(NC(=O)c2ccc3cc(nn3c2)c4ccccc4)ccn1 |
SMILES | CACTVS | 3.385 | Clc1cc(NC(=O)c2ccc3cc(nn3c2)c4ccccc4)ccn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc3ccc(cn3n2)C(=O)Nc4ccnc(c4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc3ccc(cn3n2)C(=O)Nc4ccnc(c4)Cl |