Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C38H34N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28,35-38H,25-26H2/t35-,36-,37-,38-/m0/s1 |
InChIKey | InChI | 1.03 | ZEPLDQLACIWPGK-ZQWQDMLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C(N1C=N[C@H]([C@@H]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[C@H]([C@@H]5c6ccccc6)c7ccccc7)c4 |
SMILES | CACTVS | 3.385 | C(N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2[C@@H](N(C=N2)Cc3cccc(c3)CN4C=N[C@H]([C@@H]4c5ccccc5)c6ccccc6)c7ccccc7 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2C(N(C=N2)Cc3cccc(c3)CN4C=NC(C4c5ccccc5)c6ccccc6)c7ccccc7 |