種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O(c2cccc(OCc1nc(N)cc(c1)C)c2)CC3CCNCC3 |
InChI | InChI | 1.03 | InChI=1S/C19H25N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-4,9-11,15,21H,5-8,12-13H2,1H3,(H2,20,22) |
InChIKey | InChI | 1.03 | PXVODVINMZHSGT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1 |
SMILES | CACTVS | 3.370 | Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3 |