Q09
Summary
| Name: | 2-(4-ethoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide |
| Formula: | C27 H33 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 431.57 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-ethoxyphenyl)-~{N}-[3-[(2~{R})-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H33N3O2/c1-3-32-22-14-12-21(13-15-22)26-19-24(23-10-4-5-11-25(23)29-26)27(31)28-16-8-18-30-17-7-6-9-20(30)2/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,28,31)/t20-/m1/s1 |
| InChIKey | InChI | 1.06 | CJAGKBRBMHETMY-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1)c2cc(C(=O)NCCCN3CCCC[C@H]3C)c4ccccc4n2 |
| SMILES | CACTVS | 3.385 | CCOc1ccc(cc1)c2cc(C(=O)NCCCN3CCCC[CH]3C)c4ccccc4n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)NCCCN4CCCC[C@H]4C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)NCCCN4CCCCC4C |
