TUZ
Summary
| Name: | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide |
| Formula: | C28 H26 Cl2 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 558.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H26Cl2FN3O4/c1-26(2,37)17-11-21-23(22(31)12-17)28(16-3-5-18(29)6-4-16,38-15-27(9-10-27)25(32)36)34(24(21)35)14-20-8-7-19(30)13-33-20/h3-8,11-13,37H,9-10,14-15H2,1-2H3,(H2,32,36)/t28-/m1/s1 |
| InChIKey | InChI | 1.03 | QEBHYSMAGWDGTO-MUUNZHRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C@@]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5 |
| SMILES | CACTVS | 3.385 | CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O |
