Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCN3C(=Nc1ccc(Cl)cc1C3c2ccccc2)C)c4occc4 |
SMILES_CANONICAL | CACTVS | 3.352 | CC1=Nc2ccc(Cl)cc2[C@@H](N1CCNC(=O)c3occc3)c4ccccc4 |
SMILES | CACTVS | 3.352 | CC1=Nc2ccc(Cl)cc2[CH](N1CCNC(=O)c3occc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1=Nc2ccc(cc2C(N1CCNC(=O)c3ccco3)c4ccccc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)/t21-/m0/s1 |
InChIKey | InChI | 1.03 | IPLMZBHGWQTVKV-NRFANRHFSA-N |