1L0
Summary
| Name: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide |
| Formula: | C21 H21 F2 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 445.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H21F2N5O4/c1-27(2)16(29)6-3-11-7-14-18(24)17(21(31)28(32)19(14)25-9-11)20(30)26-10-12-4-5-13(22)8-15(12)23/h4-5,7-9,32H,3,6,10,24H2,1-2H3,(H,26,30) |
| InChIKey | InChI | 1.03 | BZKKUHPYPOFQBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)CCc1cnc2N(O)C(=O)C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)CCc1cnc2N(O)C(=O)C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O |
