K9P
Summary
| Name: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one |
| Formula: | C19 H23 N O2 |
| Formal charge: | 0 |
| Formula weight: | 297.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23NO2/c1-3-4-5-10-18(22)20-12-13(2)19-15-9-7-6-8-14(15)17(21)11-16(19)20/h6-9,11,13,21H,3-5,10,12H2,1-2H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | RUAITRBXVQXTLB-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)N1C[C@@H](C)c2c1cc(O)c3ccccc23 |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)N1C[CH](C)c2c1cc(O)c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC(=O)N1CC(c2c1cc(c3c2cccc3)O)C |
