種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(cc(c1)C)C(=O)NCC2(CCCC2)NC(c4cccc3c4con3)=O |
InChI | InChI | 1.03 | InChI=1S/C22H23N3O3/c1-15-6-4-7-16(12-15)20(26)23-14-22(10-2-3-11-22)24-21(27)17-8-5-9-19-18(17)13-28-25-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27) |
InChIKey | InChI | 1.03 | MHXAYWIKTBXLMI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34 |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4 |