Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3 |
InChIKey | InChI | 1.03 | MJTBKNZEOWNOFN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C2=C(Sc3ccccc3)C(=O)c4ccccc4C2=O |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)C2=C(Sc3ccccc3)C(=O)c4ccccc4C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4 |