Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C16H17N3O3/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21) |
InChIKey | InChI | 1.06 | DWSQSPVNNSEKBI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3occc3 |
SMILES | CACTVS | 3.385 | O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3occc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 |