Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc2cc1ccccc1cc2)Cn4c5ccccc5nc4c3ncccc3 |
InChI | InChI | 1.03 | InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29) |
InChIKey | InChI | 1.03 | XYCMWFINXXFAFG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cn1c2ccccc2nc1c3ccccn3)Nc4ccc5ccccc5c4 |
SMILES | CACTVS | 3.385 | O=C(Cn1c2ccccc2nc1c3ccccn3)Nc4ccc5ccccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5 |