Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(CNC4)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H]1CNCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12 |
SMILES | CACTVS | 3.341 | CC[CH]1CNCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N |
InChI | InChI | 1.03 | InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | LVNMYQLXKMSQTG-AWEZNQCLSA-N |