QIH
Summary
| Name: | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone |
| Formula: | C27 H32 N6 O |
| Formal charge: | 0 |
| Formula weight: | 456.583 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H32N6O/c1-3-31-15-17-32(18-16-31)24-9-7-22(8-10-24)30-26-19-23(11-13-28-26)29-25-6-4-5-21-12-14-33(20(2)34)27(21)25/h4-11,13,19H,3,12,14-18H2,1-2H3,(H2,28,29,30) |
| InChIKey | InChI | 1.06 | RPOHONUDGBSZDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN(CC1)c2ccc(Nc3cc(Nc4cccc5CCN(C(C)=O)c45)ccn3)cc2 |
| SMILES | CACTVS | 3.385 | CCN1CCN(CC1)c2ccc(Nc3cc(Nc4cccc5CCN(C(C)=O)c45)ccn3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ccn3)Nc4cccc5c4N(CC5)C(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ccn3)Nc4cccc5c4N(CC5)C(=O)C |
