種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2 |
InChIKey | InChI | 1.06 | UIQBSVLMOPGDAQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCN(CC1)c2ccccc2)c3cncc4ccccc34 |
SMILES | CACTVS | 3.385 | O=C(N1CCN(CC1)c2ccccc2)c3cncc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4 |