種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2Nc1ncc(cc1CC2)CCC(=O)N(C)Cc4oc3ccccc3c4C |
InChI | InChI | 1.03 | InChI=1S/C22H23N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,26) |
InChIKey | InChI | 1.03 | WDNCPCMRTFYNIQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3 |
SMILES | CACTVS | 3.370 | CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4 |