種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C26H22F3N7O2/c1-38-22-7-3-16(14-31-22)15-2-5-20-18(12-15)24-23(25(37)32-20)33-34-36(24)17-4-6-21(19(13-17)26(27,28)29)35-10-8-30-9-11-35/h2-7,12-14,30H,8-11H2,1H3,(H,32,37) |
InChIKey | InChI | 1.03 | RGHLRMNPUGUZEY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cn1)c2ccc3NC(=O)c4nnn(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2 |
SMILES | CACTVS | 3.385 | COc1ccc(cn1)c2ccc3NC(=O)c4nnn(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)c2ccc3c(c2)-c4c(nnn4c5ccc(c(c5)C(F)(F)F)N6CCNCC6)C(=O)N3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)c2ccc3c(c2)-c4c(nnn4c5ccc(c(c5)C(F)(F)F)N6CCNCC6)C(=O)N3 |