Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2/p+1 |
InChIKey | InChI | 1.03 | FAFQJYQLYIUGAT-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c5ccc(O)cc5)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c5ccc(O)cc5)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c3[n+](cc(n2)c4ccc(cc4)O)C(=O)N(N3)Cc5ccc(cc5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c3[n+](cc(n2)c4ccc(cc4)O)C(=O)N(N3)Cc5ccc(cc5)O |