CWV
Summary
| Name: | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid |
| Formula: | C15 H13 B N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 264.087 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid |
| OpenEye OEToolkits | 2.0.6 | [3-(1-azanylisoquinolin-6-yl)phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18) |
| InChIKey | InChI | 1.03 | CCUGLTODPQTEBR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccc2cc(ccc12)c3cccc(c3)B(O)O |
| SMILES | CACTVS | 3.385 | Nc1nccc2cc(ccc12)c3cccc(c3)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O |
