7U5
Summary
| Name: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide |
| Formula: | C32 H28 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 528.604 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R})-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-12-14-27-29(19-25)37-21(3)20(2)36-27)18-23-8-5-22(6-9-23)7-10-24-11-13-26-28(17-24)35-16-15-34-26/h5-6,8-9,11-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m1/s1 |
| InChIKey | InChI | 1.06 | NWRUSGJCZMKYKB-SSEXGKCCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)[C@@H](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4 |
| SMILES | CACTVS | 3.385 | CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)[C@@H](Cc1ccc(cc1)C#Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)C(Cc1ccc(cc1)C#Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C |
