JDE
Summary
| Name: | (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate |
| Formula: | C17 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 309.319 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O3/c1-22-16-6-12(11-23-17(21)15-9-19-20-10-15)5-14(7-16)13-3-2-4-18-8-13/h2-10H,11H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | JWEGKKOSKAIWMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(COC(=O)c2c[nH]nc2)cc(c1)c3cccnc3 |
| SMILES | CACTVS | 3.385 | COc1cc(COC(=O)c2c[nH]nc2)cc(c1)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3 |
