Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(NC(=O)CO)cc1)N1CCN(CC1)c1ccc(Cl)nn1 |
InChI | InChI | 1.03 | InChI=1S/C18H20ClN5O3/c19-15-5-6-16(22-21-15)23-7-9-24(10-8-23)18(27)11-13-1-3-14(4-2-13)20-17(26)12-25/h1-6,25H,7-12H2,(H,20,26) |
InChIKey | InChI | 1.03 | WEDTXJVSLAQYOD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1 |
SMILES | CACTVS | 3.385 | OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)NC(=O)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)Cl)NC(=O)CO |