種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3 |
InChIKey | InChI | 1.06 | HXVCPXGIAZLACO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12 |
SMILES | CACTVS | 3.385 | C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN(C(=O)[C@@H]4C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN(C(=O)C4C)C |