Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2ccccc2)cc1 |
InChI | InChI | 1.03 | InChI=1S/C21H17N3O4/c1-21(15-12-13-18(22-14-15)27-17-10-6-3-7-11-17)19(25)24(20(26)28-21)23-16-8-4-2-5-9-16/h2-14,23H,1H3/t21-/m0/s1 |
InChIKey | InChI | 1.03 | QOFLFGUNPBNKDO-NRFANRHFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3 |
SMILES | CACTVS | 3.385 | C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4 |