種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCc1ccc2OCOc2c1)c1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C18H19N3O5/c22-17(15-2-1-9-24-15)20-5-7-21(8-6-20)18(23)19-11-13-3-4-14-16(10-13)26-12-25-14/h1-4,9-10H,5-8,11-12H2,(H,19,23) |
InChIKey | InChI | 1.06 | OROHVINEJMFCOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occc4 |
SMILES | CACTVS | 3.385 | O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc4c(c3)OCO4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc4c(c3)OCO4 |