種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5 |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1c(F)cccc1Cc2n(c3ccccc3)c4ccc(O)c(C)c4c2C(=O)N5CCNCC5 |
SMILES | CACTVS | 3.370 | Cc1c(F)cccc1Cc2n(c3ccccc3)c4ccc(O)c(C)c4c2C(=O)N5CCNCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5 |
InChI | InChI | 1.03 | InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3 |
InChIKey | InChI | 1.03 | LWFGTVRNQYOUHL-UHFFFAOYSA-N |