XTQ
Summary
| Name: | 2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one |
| Formula: | C20 H23 N3 O |
| Formal charge: | 0 |
| Formula weight: | 321.416 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23N3O/c1-14(2)11-16(12-21)23-10-8-18-17(15-5-4-9-22-13-15)6-3-7-19(18)20(23)24/h3-10,13-14,16H,11-12,21H2,1-2H3 |
| InChIKey | InChI | 1.06 | WKFOGPZROGWINE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](CN)N1C=Cc2c(cccc2c3cccnc3)C1=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](CN)N1C=Cc2c(cccc2c3cccnc3)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](CN)N1C=Cc2c(cccc2C1=O)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(CN)N1C=Cc2c(cccc2C1=O)c3cccnc3 |
