種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(C1(CCCCC1)CNC(c2cccc(c2)C(C)(C)C)=O)C(c4cccc3c4con3)=O |
InChI | InChI | 1.03 | InChI=1S/C26H31N3O3/c1-25(2,3)19-10-7-9-18(15-19)23(30)27-17-26(13-5-4-6-14-26)28-24(31)20-11-8-12-22-21(20)16-32-29-22/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,30)(H,28,31) |
InChIKey | InChI | 1.03 | HBQXFVMSOMIMBK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4nocc34 |
SMILES | CACTVS | 3.385 | CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4nocc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4 |