20Q
Summary
| Name: | (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one |
| Formula: | C22 H22 Cl2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 417.328 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 1.7.6 | (3S)-6-chloranyl-3-[(3-chlorophenyl)methyl]-3-[(3R)-1-ethanoylpiperidin-3-yl]-1H-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N4CCCC(C2(c1ccc(Cl)cc1NC2=O)Cc3cccc(Cl)c3)C4)C |
| InChI | InChI | 1.03 | InChI=1S/C22H22Cl2N2O2/c1-14(27)26-9-3-5-16(13-26)22(12-15-4-2-6-17(23)10-15)19-8-7-18(24)11-20(19)25-21(22)28/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,25,28)/t16-,22-/m0/s1 |
| InChIKey | InChI | 1.03 | RIBYLXUNNWIWJK-AOMKIAJQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@@H](C1)[C@]2(Cc3cccc(Cl)c3)C(=O)Nc4cc(Cl)ccc24 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC[CH](C1)[C]2(Cc3cccc(Cl)c3)C(=O)Nc4cc(Cl)ccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)N1CCCC(C1)C2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl |
