A1JHN
Summary
| Name: | 6-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indazole-4-carboxamide |
| Formula: | C16 H13 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 312.754 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13ClN4O/c17-11-4-13(14-8-19-21-15(14)5-11)16(22)20-12-2-1-9-6-18-7-10(9)3-12/h1-5,8,18H,6-7H2,(H,19,21)(H,20,22) |
| InChIKey | InChI | 1.06 | WHSNUVFYTJYWKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]ncc2c(c1)C(=O)Nc3ccc4CNCc4c3 |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]ncc2c(c1)C(=O)Nc3ccc4CNCc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1NC(=O)c3cc(cc4c3cn[nH]4)Cl)CNC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1NC(=O)c3cc(cc4c3cn[nH]4)Cl)CNC2 |
