Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2(CCN(C(=O)c1ccco1)CC2)C(Nc3ccc(OC)cc3)=O |
InChI | InChI | 1.03 | InChI=1S/C17H19N3O4/c1-23-14-6-4-13(5-7-14)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,22) |
InChIKey | InChI | 1.03 | ARUJFUATKHSUDP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 |