種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C[n+]1cc(cc2ccccc21)NC(=O)c1nc2c(cc1)ccc1ccc(nc12)C(=O)Nc1cc2ccccc2[n+](C)c1 |
InChI | InChI | 1.06 | InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2 |
InChIKey | InChI | 1.06 | CTOLNXAGCUTHBW-UHFFFAOYSA-P |
SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5cc6ccccc6[n+](C)c5)cc7ccccc17 |
SMILES | CACTVS | 3.385 | C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5cc6ccccc6[n+](C)c5)cc7ccccc17 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[n+]1cc(cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)Nc6cc7ccccc7[n+](c6)C |
SMILES | OpenEye OEToolkits | 2.0.7 | C[n+]1cc(cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)Nc6cc7ccccc7[n+](c6)C |