5QO
Summary
| Name: | macrocyclic quinoxaline-pyrrolodihydropiperidinone |
| Formula: | C21 H21 N5 O |
| Formal charge: | 0 |
| Formula weight: | 359.424 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H21N5O/c1-11-5-3-6-13-10-22-21(27)15-9-17(25-18(13)15)14-7-4-8-16-19(14)26-20(23-11)12(2)24-16/h3-5,7-9,11,13,25H,6,10H2,1-2H3,(H,22,27)(H,23,26)/b5-3-/t11-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | DDQXBYGNFGPJRL-CLZWFORCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]\1Nc2nc3c(cccc3c4[nH]c5[C@H](CNC(=O)c5c4)C\C=C\1)nc2C |
| SMILES | CACTVS | 3.385 | C[CH]1Nc2nc3c(cccc3c4[nH]c5[CH](CNC(=O)c5c4)CC=C1)nc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C\[C@H](N2)C)CNC5=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)C(CC=CC(N2)C)CNC5=O |
