A1H63
Summary
| Name: | 5-[4-[(7-ethyl-6-oxidanylidene-5~{H}-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide |
| Formula: | C22 H26 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 406.481 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[4-[(7-ethyl-6-oxidanylidene-5~{H}-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H26N6O2/c1-3-16-11-19-20(26-21(16)29)10-15(12-24-19)14-27-6-8-28(9-7-27)17-4-5-18(25-13-17)22(30)23-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,23,30)(H,26,29) |
| InChIKey | InChI | 1.06 | WQAVGRAETZEADU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=Cc2ncc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC)cc2NC1=O |
| SMILES | CACTVS | 3.385 | CCC1=Cc2ncc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC)cc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC1=Cc2c(cc(cn2)CN3CCN(CC3)c4ccc(nc4)C(=O)NC)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1=Cc2c(cc(cn2)CN3CCN(CC3)c4ccc(nc4)C(=O)NC)NC1=O |
