E39
Summary
| Name: | (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole |
| Formula: | C14 H16 F N3 |
| Formal charge: | 0 |
| Formula weight: | 245.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16FN3/c1-9(2)18-13-5-3-4-11(15)10(13)6-14(18)12-7-16-8-17-12/h3-5,7-9,14H,6H2,1-2H3,(H,16,17)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | BIAKLJFRJUFBQE-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1[C@@H](Cc2c(F)cccc12)c3[nH]cnc3 |
| SMILES | CACTVS | 3.385 | CC(C)N1[CH](Cc2c(F)cccc12)c3[nH]cnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1c2cccc(c2CC1c3cnc[nH]3)F |
