種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C23H31N3O2/c1-16-17(2)22(27)25(4)15-19(16)18-6-7-20(21(14-18)28-5)23(8-9-23)26-12-10-24(3)11-13-26/h6-7,14-15H,8-13H2,1-5H3 |
InChIKey | InChI | 1.06 | ASRLBLHATMXGPC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1C2(CC2)N3CCN(C)CC3)C4=CN(C)C(=O)C(=C4C)C |
SMILES | CACTVS | 3.385 | COc1cc(ccc1C2(CC2)N3CCN(C)CC3)C4=CN(C)C(=O)C(=C4C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(C=C1c2ccc(c(c2)OC)C3(CC3)N4CCN(CC4)C)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(C=C1c2ccc(c(c2)OC)C3(CC3)N4CCN(CC4)C)C)C |