種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(NCc2cnccc2)=O)C(c3ccc(C)o3)=O |
InChI | InChI | 1.03 | InChI=1S/C17H20N4O3/c1-13-4-5-15(24-13)16(22)20-7-9-21(10-8-20)17(23)19-12-14-3-2-6-18-11-14/h2-6,11H,7-10,12H2,1H3,(H,19,23) |
InChIKey | InChI | 1.03 | HGHNCKMHUMBNIY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3 |
SMILES | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3 |