9Z4
Summary
| Name: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide |
| Synonyms: | 4-({[3-(acryloylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide bound form |
| Formula: | C18 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 337.376 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 4-[[3-(propanoylamino)phenyl]methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21n(ccc1)ncc(c2NCc3cccc(c3)NC(=O)CC)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C18H19N5O2/c1-2-16(24)22-13-6-3-5-12(9-13)10-20-17-14(18(19)25)11-21-23-8-4-7-15(17)23/h3-9,11,20H,2,10H2,1H3,(H2,19,25)(H,22,24) |
| InChIKey | InChI | 1.03 | NLMYDZAEGAXRHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cccc(CNc2c3cccn3ncc2C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccc(CNc2c3cccn3ncc2C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N |
