A1IRC
Summary
| Name: | 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-~{N}-[4-(propanoylamino)-3-(trifluoromethyl)phenyl]benzamide |
| Formula: | C26 H20 F3 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 491.465 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-~{N}-[4-(propanoylamino)-3-(trifluoromethyl)phenyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H20F3N5O2/c1-3-24(35)33-22-11-9-19(14-21(22)26(27,28)29)32-25(36)18-7-6-16(2)17(13-18)8-10-20-15-30-23-5-4-12-31-34(20)23/h4-7,9,11-15H,3H2,1-2H3,(H,32,36)(H,33,35) |
| InChIKey | InChI | 1.06 | FTNOFDRVSQZWOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(c2)C#Cc3cnc4cccnn34)cc1C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(c2)C#Cc3cnc4cccnn34)cc1C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(cc1C(F)(F)F)NC(=O)c2ccc(c(c2)C#Cc3cnc4n3nccc4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(cc1C(F)(F)F)NC(=O)c2ccc(c(c2)C#Cc3cnc4n3nccc4)C |
