Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2 |
InChIKey | InChI | 1.03 | KPOOEJJPTYXNTN-UHFFFAOYSA-P |
SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc3cc4ccccc4[n+](C)c3)cc5ccccc15 |
SMILES | CACTVS | 3.385 | C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc3cc4ccccc4[n+](C)c3)cc5ccccc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C |