Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(cc1)CN)c3cc2ccc(C(=[N@H])N)cc2cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1 |
SMILES | CACTVS | 3.341 | NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N |
InChI | InChI | 1.03 | InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24) |
InChIKey | InChI | 1.03 | NLBDETRVUYOIHQ-UHFFFAOYSA-N |