A1I90
Summary
| Name: | 5-[7-[(3-chloranyl-4-phenyl-phenyl)methylamino]heptylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| Formula: | C33 H33 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 553.094 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[7-[(3-chloranyl-4-phenyl-phenyl)methylamino]heptylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C33H33ClN4O2/c34-30-19-23(11-13-26(30)24-9-5-4-6-10-24)21-35-16-7-2-1-3-8-17-37-32-28-15-18-36-22-29(28)27-14-12-25(33(39)40)20-31(27)38-32/h4-6,9-15,18-20,22,35H,1-3,7-8,16-17,21H2,(H,37,38)(H,39,40) |
| InChIKey | InChI | 1.06 | RWKALSQWOILJQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O |
