種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1c(cc(Cl)c(c1)F)Cn3c(nc2ccc(Cl)cc23)N4CCNCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H17Cl2FN4/c19-13-2-4-16-17(10-13)25(11-12-1-3-15(21)14(20)9-12)18(23-16)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2 |
InChIKey | InChI | 1.03 | JKACBCFXETVIIK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc1Cl |
SMILES | CACTVS | 3.385 | Fc1ccc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F |