5NN
Summary
| Name: | 5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE |
| Formula: | C15 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 236.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-3-phenylisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-azanyl-3-phenyl-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3cccc(c3C=C(c1ccccc1)N2)N |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18) |
| InChIKey | InChI | 1.03 | RGSDXZQBZQATQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2C(=O)NC(=Cc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Nc1cccc2C(=O)NC(=Cc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 |
