Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12 |
InChI | InChI | 1.03 | InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24) |
InChIKey | InChI | 1.03 | BICDHWPHEXMVAT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12 |
SMILES | CACTVS | 3.385 | OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4 |