Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc2C=[N+](C[C@]3(NC(=O)NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1 |
SMILES | CACTVS | 3.352 | COc1ccc2C=[N+](C[C]3(NC(=O)NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5 |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)C(=O)[N+](=C2)CC3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5 |
InChI | InChI | 1.03 | InChI=1S/C24H18N4O4/c1-32-19-9-6-17-13-28(21(29)20(17)11-19)14-24(22(30)26-23(31)27-24)18-7-4-15(5-8-18)16-3-2-10-25-12-16/h2-13H,14H2,1H3,(H-,26,27,30,31)/p+1/t24-/m0/s1 |
InChIKey | InChI | 1.03 | IPWWTFLYEBQOPS-DEOSSOPVSA-O |