A1B8T
Summary
| Name: | (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(oxan-4-yl)acetamide |
| Formula: | C22 H24 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 425.911 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-(oxan-4-yl)acetamide |
| 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}-(oxan-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC1CCOCC1)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc21 |
| InChI | InChI | 1.06 | InChI=1S/C22H24ClN5O2/c23-15-8-18(19-12-25-28-20(19)9-15)21(22(29)27-16-3-5-30-6-4-16)26-17-2-1-13-10-24-11-14(13)7-17/h1-2,7-9,12,16,21,24,26H,3-6,10-11H2,(H,25,28)(H,27,29)/t21-/m1/s1 |
| InChIKey | InChI | 1.06 | SXMYZXOHVWFIQO-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]ncc2c(c1)[C@@H](Nc3ccc4CNCc4c3)C(=O)NC5CCOCC5 |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]ncc2c(c1)[CH](Nc3ccc4CNCc4c3)C(=O)NC5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1N[C@H](c3cc(cc4c3cn[nH]4)Cl)C(=O)NC5CCOCC5)CNC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1NC(c3cc(cc4c3cn[nH]4)Cl)C(=O)NC5CCOCC5)CNC2 |
