YRP
Summary
| Name: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide |
| Formula: | C22 H20 Cl F2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 415.864 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(1~{R},5~{S})-3-[5,6-bis(fluoranyl)benzimidazol-1-yl]-6-bicyclo[3.1.0]hexanyl]-~{N}-(4-chlorophenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)NC(=O)C(C)C1C2CC(CC21)n1cnc2cc(F)c(F)cc21 |
| InChI | InChI | 1.03 | InChI=1S/C22H20ClF2N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11-,14-,15-,16+,21+/m1/s1 |
| InChIKey | InChI | 1.03 | FVIXADGZFNVGRM-IDJJVQAESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]([C@H]1[C@@H]2C[C@H](C[C@H]12)n3cnc4cc(F)c(F)cc34)C(=O)Nc5ccc(Cl)cc5 |
| SMILES | CACTVS | 3.385 | C[CH]([CH]1[CH]2C[CH](C[CH]12)n3cnc4cc(F)c(F)cc34)C(=O)Nc5ccc(Cl)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C1[C@H]2[C@@H]1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1C2C1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl |
