JYO
Summary
| Name: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol |
| Formula: | C22 H20 F3 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 415.408 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | WTGCKCDNZFLRCX-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC[C@H]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4 |
| SMILES | CACTVS | 3.385 | NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(cc3n2[C@H](CN=C3O)CCN)c4cccc(c4)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(cc3n2C(CN=C3O)CCN)c4cccc(c4)OC(F)(F)F |
