Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)c2c3c4ccccc4[NH]c3c3[NH]c4ccccc4c3c21 |
InChI | InChI | 1.06 | InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25) |
InChIKey | InChI | 1.06 | KAJXOWFGKYKMMZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25 |
SMILES | CACTVS | 3.385 | O=C1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O |