| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c15ccccc1C4(C3(NC(\C(=C/c2cncn2)N3C(C(=C4)OC)=O)=O)N5OC)C(C)([C@H]=C)C |
| InChI | InChI | 1.03 | InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | SOHAVULMGIITDH-ZXPSTKSJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CON1c2ccccc2[C@@]3(C=C(OC)C(=O)N4C(=C/c5c[nH]cn5)/C(=O)N[C@@]134)C(C)(C)C=C |
| SMILES | CACTVS | 3.385 | CON1c2ccccc2[C]3(C=C(OC)C(=O)N4C(=Cc5c[nH]cn5)C(=O)N[C]134)C(C)(C)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=Cc4c[nH]cn4)N(c5c2cccc5)OC)OC |
