A1B9B
Summary
| Name: | (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide |
| Formula: | C20 H22 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 383.875 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-(6-chloranyl-1~{H}-indazol-4-yl)-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-~{N}-propyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCCNC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12 |
| InChI | InChI | 1.06 | InChI=1S/C20H22ClN5O/c1-2-5-23-20(27)19(16-7-14(21)8-18-17(16)11-24-26-18)25-15-4-3-12-9-22-10-13(12)6-15/h3-4,6-8,11,19,22,25H,2,5,9-10H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | SXCDIRRWDDNQMG-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=O)[C@H](Nc1ccc2CNCc2c1)c3cc(Cl)cc4[nH]ncc34 |
| SMILES | CACTVS | 3.385 | CCCNC(=O)[CH](Nc1ccc2CNCc2c1)c3cc(Cl)cc4[nH]ncc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCNC(=O)[C@@H](c1cc(cc2c1cn[nH]2)Cl)Nc3ccc4c(c3)CNC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCNC(=O)C(c1cc(cc2c1cn[nH]2)Cl)Nc3ccc4c(c3)CNC4 |
