Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccccc45)cc3)cc2)cc1 |
SMILES | CACTVS | 3.341 | C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccccc45)cc3)cc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C |
SMILES | OpenEye OEToolkits | 1.5.0 | C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C |
InChI | InChI | 1.03 | InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2 |
InChIKey | InChI | 1.03 | PMCURUPNDHFYCG-UHFFFAOYSA-P |