Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nnc(c1)C2CC2)c3ccc(C(=O)N)cc3 |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3 |
SMILES | CACTVS | 3.370 | NC(=O)c1ccc(cc1)C(=O)Nc2cc([nH]n2)C3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3 |
InChI | InChI | 1.03 | InChI=1S/C14H14N4O2/c15-13(19)9-3-5-10(6-4-9)14(20)16-12-7-11(17-18-12)8-1-2-8/h3-8H,1-2H2,(H2,15,19)(H2,16,17,18,20) |
InChIKey | InChI | 1.03 | HGEJNHUGVPFHIF-UHFFFAOYSA-N |