Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=C\c4ncccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | C(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4 |
SMILES | CACTVS | 3.341 | C(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)C=Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4 |
InChI | InChI | 1.03 | InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+ |
InChIKey | InChI | 1.03 | OMZVNZJNZUGOJK-UOSOPFLXSA-N |