種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C)C(C)(C)c2c1 |
InChI | InChI | 1.06 | InChI=1S/C21H30N4O2/c1-14-21(5,6)16-13-15(7-8-17(16)22-14)18(26)24-9-11-25(12-10-24)19(27)23-20(2,3)4/h7-8,13H,9-12H2,1-6H3,(H,23,27) |
InChIKey | InChI | 1.06 | ZJOHJOMXKQVDCT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=Nc2ccc(cc2C1(C)C)C(=O)N3CCN(CC3)C(=O)NC(C)(C)C |
SMILES | CACTVS | 3.385 | CC1=Nc2ccc(cc2C1(C)C)C(=O)N3CCN(CC3)C(=O)NC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=Nc2ccc(cc2C1(C)C)C(=O)N3CCN(CC3)C(=O)NC(C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=Nc2ccc(cc2C1(C)C)C(=O)N3CCN(CC3)C(=O)NC(C)(C)C |