Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)NCc1cccc(c1)c4cccc(c3cc2c(ccnc2)n3)c4O |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)NCc1cccc(c1)c2cccc(c2O)c3[nH]c4ccncc4c3 |
SMILES | CACTVS | 3.341 | NC(=O)NCc1cccc(c1)c2cccc(c2O)c3[nH]c4ccncc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N |
InChI | InChI | 1.03 | InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27) |
InChIKey | InChI | 1.03 | SRPOHNDQBDHONJ-UHFFFAOYSA-N |