Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3ccc(c1ccc(cc1)C(=O)NC(Cc2ccccc2)CO)cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O2/c24-15-20(14-16-4-2-1-3-5-16)23-21(25)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,24H,14-15H2,(H,23,25)/t20-/m0/s1 |
InChIKey | InChI | 1.03 | YVKVSKQNYIHXPX-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H](Cc1ccccc1)NC(=O)c2ccc(cc2)c3ccncc3 |
SMILES | CACTVS | 3.385 | OC[CH](Cc1ccccc1)NC(=O)c2ccc(cc2)c3ccncc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC(CO)NC(=O)c2ccc(cc2)c3ccncc3 |