UJ3
Summary
| Name: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea |
| Synonyms: | SCHEMBL24756013 |
| Formula: | C22 H22 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 395.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(1~{S})-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H22FN3O3/c1-11(2)19(20-12(3)17-9-14(23)4-7-18(17)29-20)26-22(28)25-15-5-6-16-13(8-15)10-24-21(16)27/h4-9,11,19H,10H2,1-3H3,(H,24,27)(H2,25,26,28)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | LZUITSLTUCNJFS-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc4ccc(F)cc4c3C |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc4ccc(F)cc4c3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2oc1[C@H](C(C)C)NC(=O)Nc3ccc4c(c3)CNC4=O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2oc1C(C(C)C)NC(=O)Nc3ccc4c(c3)CNC4=O)F |
