A1JIF
Summary
| Name: | 3-[(4-ethylphenyl)methyl]-7-fluoranyl-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one |
| Formula: | C18 H15 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 322.336 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(4-ethylphenyl)methyl]-7-fluoranyl-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H15FN4O/c1-2-11-3-5-12(6-4-11)10-23-17-16(21-22-23)14-8-7-13(19)9-15(14)18(24)20-17/h3-9H,2,10H2,1H3,(H,20,24) |
| InChIKey | InChI | 1.06 | PVXPOUFJSHCZMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(Cn2nnc3c2NC(=O)c4cc(F)ccc34)cc1 |
| SMILES | CACTVS | 3.385 | CCc1ccc(Cn2nnc3c2NC(=O)c4cc(F)ccc34)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)Cn2c3c(nn2)-c4ccc(cc4C(=O)N3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)Cn2c3c(nn2)-c4ccc(cc4C(=O)N3)F |
