Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)c1cc(ccc1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1 |
SMILES | CACTVS | 3.341 | NC(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C18H14ClN5O3/c19-12-4-5-13-16(27-9-26-13)15(12)23-14-6-7-21-18(24-14)22-11-3-1-2-10(8-11)17(20)25/h1-8H,9H2,(H2,20,25)(H2,21,22,23,24) |
InChIKey | InChI | 1.03 | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N |