W96
Summary
| Name: | N-pyridin-4-ylisoquinolin-4-amine |
| Formula: | C14 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 221.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-pyridin-4-ylisoquinolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3/c1-2-4-13-11(3-1)9-16-10-14(13)17-12-5-7-15-8-6-12/h1-10H,(H,15,17) |
| InChIKey | InChI | 1.03 | FLAHEXULHVZYHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N(c1ccncc1)c2cncc3ccccc23 |
| SMILES | CACTVS | 3.385 | N(c1ccncc1)c2cncc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2Nc3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2Nc3ccncc3 |
