Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C3(c2ccc(c1cnnc1)cc2N=CN3Cc4ccccc4)=O |
InChI | InChI | 1.03 | InChI=1S/C18H14N4O/c23-18-16-7-6-14(15-9-20-21-10-15)8-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21) |
InChIKey | InChI | 1.03 | GAVLIPSZXZKQHK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(Cc2ccccc2)C=Nc3cc(ccc13)c4c[nH]nc4 |
SMILES | CACTVS | 3.385 | O=C1N(Cc2ccccc2)C=Nc3cc(ccc13)c4c[nH]nc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4 |