種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3 |
InChIKey | InChI | 1.03 | IKHAJTCUSZHKAO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 |
SMILES | CACTVS | 3.385 | Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 |