Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4ccc(c1ccc(cc1)C(=O)NCc2c3c(ccc2)OCCO3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C21H18N2O3/c24-21(17-6-4-15(5-7-17)16-8-10-22-11-9-16)23-14-18-2-1-3-19-20(18)26-13-12-25-19/h1-11H,12-14H2,(H,23,24) |
InChIKey | InChI | 1.03 | FWFHXPGGGOSSPF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1cccc2OCCOc12)c3ccc(cc3)c4ccncc4 |
SMILES | CACTVS | 3.385 | O=C(NCc1cccc2OCCOc12)c3ccc(cc3)c4ccncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4 |