5OQ
Summary
| Name: | ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine |
| Formula: | C21 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 360.409 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H20N4O2/c1-25-13-15(12-23-25)17-6-4-5-14-11-22-21(10-18(14)17)24-19-8-7-16(26-2)9-20(19)27-3/h4-13H,1-3H3,(H,22,24) |
| InChIKey | InChI | 1.03 | SEROCBXXHACDIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2cc3c(cccc3c4cnn(C)c4)cn2)c(OC)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Nc2cc3c(cccc3c4cnn(C)c4)cn2)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC |
