Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1 |
InChI | InChI | 1.06 | InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24) |
InChIKey | InChI | 1.06 | ISRHBBIYTNRSMM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1 |
SMILES | CACTVS | 3.385 | Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3)C |