Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C5Nc1ccccc1c2c3c(ncc2)ncc3C5c4ccc(O)cc4 |
SMILES_CANONICAL | CACTVS | 3.352 | Oc1ccc(cc1)[C@@H]2C(=O)Nc3ccccc3c4ccnc5[nH]cc2c45 |
SMILES | CACTVS | 3.352 | Oc1ccc(cc1)[CH]2C(=O)Nc3ccccc3c4ccnc5[nH]cc2c45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(C(=O)N2)c5ccc(cc5)O |
InChI | InChI | 1.03 | InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | LGIBDQRYOFBMTC-SFHVURJKSA-N |