A1B8X
Summary
| Name: | (2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-[(oxan-4-yl)methyl]acetamide |
| Formula: | C23 H26 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 439.938 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)methyl]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-ylmethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc(c2cn[NH]c2c1)C(Nc1cc2CNCc2cc1)C(=O)NCC1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C23H26ClN5O2/c24-17-8-19(20-13-27-29-21(20)9-17)22(23(30)26-10-14-3-5-31-6-4-14)28-18-2-1-15-11-25-12-16(15)7-18/h1-2,7-9,13-14,22,25,28H,3-6,10-12H2,(H,26,30)(H,27,29)/t22-/m1/s1 |
| InChIKey | InChI | 1.06 | OJYCZKWLVHSYSN-JOCHJYFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]ncc2c(c1)[C@@H](Nc3ccc4CNCc4c3)C(=O)NCC5CCOCC5 |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]ncc2c(c1)[CH](Nc3ccc4CNCc4c3)C(=O)NCC5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1N[C@H](c3cc(cc4c3cn[nH]4)Cl)C(=O)NCC5CCOCC5)CNC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1NC(c3cc(cc4c3cn[nH]4)Cl)C(=O)NCC5CCOCC5)CNC2 |
