A1B0E
Summary
| Name: | 5-{[2-(4-{[(3-chlorophenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| Formula: | C26 H28 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 477.986 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-{[2-(4-{[(3-chlorophenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)c1cc2nc(NCCOCCCCNCc3cccc(Cl)c3)c3ccncc3c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C26H28ClN5O2/c27-20-5-3-4-18(14-20)16-29-9-1-2-12-34-13-11-31-26-22-8-10-30-17-23(22)21-7-6-19(25(28)33)15-24(21)32-26/h3-8,10,14-15,17,29H,1-2,9,11-13,16H2,(H2,28,33)(H,31,32) |
| InChIKey | InChI | 1.06 | ZCLCMLMHEMDXAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3cccc(Cl)c3)c4ccncc24 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3cccc(Cl)c3)c4ccncc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Cl)CNCCCCOCCNc2c3ccncc3c4ccc(cc4n2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)Cl)CNCCCCOCCNc2c3ccncc3c4ccc(cc4n2)C(=O)N |
