7U3
Summary
| Name: | 7-fluoranyl-4-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-phthalazin-1-one |
| Formula: | C13 H14 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 263.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7-fluoranyl-4-[[(3~{R})-pyrrolidin-3-yl]methoxy]-2~{H}-phthalazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14FN3O2/c14-9-1-2-10-11(5-9)12(18)16-17-13(10)19-7-8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H,16,18)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | PARCVGQDXZYJOY-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2C(=NNC(=O)c2c1)OC[C@@H]3CCNC3 |
| SMILES | CACTVS | 3.385 | Fc1ccc2C(=NNC(=O)c2c1)OC[CH]3CCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)C(=O)NN=C2OCC3CCNC3 |
