種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)c3nccc2c1c(cc(OC)cc1)n(c23)CCCCN |
InChI | InChI | 1.03 | InChI=1S/C17H18F3N3O/c1-24-11-4-5-12-13-6-8-22-16(17(18,19)20)15(13)23(14(12)10-11)9-3-2-7-21/h4-6,8,10H,2-3,7,9,21H2,1H3 |
InChIKey | InChI | 1.03 | JVBWXORXTBDUMH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(c1)n(CCCCN)c3c2ccnc3C(F)(F)F |
SMILES | CACTVS | 3.385 | COc1ccc2c(c1)n(CCCCN)c3c2ccnc3C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F |