Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N4CCN(CCN3C(=Nc1ccc(Cl)cc1C3c2ccccc2)C)CC4)c5occc5 |
SMILES_CANONICAL | CACTVS | 3.352 | CC1=Nc2ccc(Cl)cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4occc4)c5ccccc5 |
SMILES | CACTVS | 3.352 | CC1=Nc2ccc(Cl)cc2[CH](N1CCN3CCN(CC3)C(=O)c4occc4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1=Nc2ccc(cc2C(N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl |
InChI | InChI | 1.03 | InChI=1S/C26H27ClN4O2/c1-19-28-23-10-9-21(27)18-22(23)25(20-6-3-2-4-7-20)31(19)16-13-29-11-14-30(15-12-29)26(32)24-8-5-17-33-24/h2-10,17-18,25H,11-16H2,1H3/t25-/m0/s1 |
InChIKey | InChI | 1.03 | LZBVDXKZVXPKHV-VWLOTQADSA-N |