A1I9L
Summary
| Name: | 5-[2-[4-[[3-aminocarbonyl-5-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide |
| Formula: | C28 H29 F3 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 570.563 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[2-[4-[[3-aminocarbonyl-5-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H29F3N6O4/c29-28(30,31)41-20-12-17(11-19(13-20)26(33)39)15-34-6-1-2-9-40-10-8-36-27-22-5-7-35-16-23(22)21-4-3-18(25(32)38)14-24(21)37-27/h3-5,7,11-14,16,34H,1-2,6,8-10,15H2,(H2,32,38)(H2,33,39)(H,36,37) |
| InChIKey | InChI | 1.06 | BYUOTROFDJYVHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3cc(OC(F)(F)F)cc(c3)C(N)=O)c4ccncc24 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3cc(OC(F)(F)F)cc(c3)C(N)=O)c4ccncc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4)OC(F)(F)F)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4)OC(F)(F)F)C(=O)N |
