Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3 |
SMILES_CANONICAL | CACTVS | 3.370 | O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3 |
SMILES | CACTVS | 3.370 | O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3 |
InChI | InChI | 1.03 | InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21) |
InChIKey | InChI | 1.03 | KASWEFFYPLWMCM-UHFFFAOYSA-N |