A1JI1
Summary
| Name: | 7-fluoranyl-3-[(4-methoxyphenyl)methyl]-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one |
| Formula: | C17 H13 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 324.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-fluoranyl-3-[(4-methoxyphenyl)methyl]-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H13FN4O2/c1-24-12-5-2-10(3-6-12)9-22-16-15(20-21-22)13-7-4-11(18)8-14(13)17(23)19-16/h2-8H,9H2,1H3,(H,19,23) |
| InChIKey | InChI | 1.06 | MEHAKNNFHLEJIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cn2nnc3c2NC(=O)c4cc(F)ccc34)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cn2nnc3c2NC(=O)c4cc(F)ccc34)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cn2c3c(nn2)-c4ccc(cc4C(=O)N3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cn2c3c(nn2)-c4ccc(cc4C(=O)N3)F |
