834
Summary
| Name: | N-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Synonyms: | N-(2-(2-chlorophenyl)-5-isopropyl-4-methyl-1H-imidazol-1-yl)-5-methyl-2,3-dihyrobenzo[b][1,4]dioxine-6-carboxamide |
| Formula: | C23 H24 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 425.908 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N-[2-(2-chlorophenyl)-4-methyl-5-(propan-2-yl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| OpenEye OEToolkits | 1.6.1 | N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-yl-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1ccccc1c2nc(c(n2NC(=O)c4ccc3OCCOc3c4C)C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)c1n(NC(=O)c2ccc3OCCOc3c2C)c(nc1C)c4ccccc4Cl |
| SMILES | CACTVS | 3.352 | CC(C)c1n(NC(=O)c2ccc3OCCOc3c2C)c(nc1C)c4ccccc4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C23H24ClN3O3/c1-13(2)20-15(4)25-22(17-7-5-6-8-18(17)24)27(20)26-23(28)16-9-10-19-21(14(16)3)30-12-11-29-19/h5-10,13H,11-12H2,1-4H3,(H,26,28) |
| InChIKey | InChI | 1.03 | XLNQTHXOKGRTAL-UHFFFAOYSA-N |
