Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1ccccc1)c3cc2ccc(C(=[N@H])N)cc2cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3 |
SMILES | CACTVS | 3.341 | NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N |
InChI | InChI | 1.03 | InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22) |
InChIKey | InChI | 1.03 | AECPTICWHONWNW-UHFFFAOYSA-N |