A1D6T
Summary
| Name: | ~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide |
| Synonyms: | SNAP-94847 |
| Formula: | C29 H32 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 478.573 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34) |
| InChIKey | InChI | 1.06 | VMLZFUVIKCGATC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)Nc1ccc(C)c(c1)C2CCN(CC2)Cc3ccc(Oc4ccc(F)c(F)c4)cc3 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)Nc1ccc(C)c(c1)C2CCN(CC2)Cc3ccc(Oc4ccc(F)c(F)c4)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C2CCN(CC2)Cc3ccc(cc3)Oc4ccc(c(c4)F)F)NC(=O)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C2CCN(CC2)Cc3ccc(cc3)Oc4ccc(c(c4)F)F)NC(=O)C(C)C |
