種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3 |
InChI | InChI | 1.03 | InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20) |
InChIKey | InChI | 1.03 | ZXYKAGVWWGHBFN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES | CACTVS | 3.385 | Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |