種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C(=O)N)C(NC)=O)F |
InChI | InChI | 1.03 | InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26) |
InChIKey | InChI | 1.03 | FFYLSLMDLCQSRS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(N)=O |
SMILES | CACTVS | 3.385 | CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F |