K4E
Summary
| Name: | N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide |
| Formula: | C22 H25 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 428.912 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide |
| OpenEye OEToolkits | 1.7.6 | 2-[(5-chloranyl-2-methoxy-phenyl)amino]-N-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)cyclohexyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(OC)cc1)NCC(=O)NC4CCC(N3c2ccccc2NC3=O)CC4 |
| InChI | InChI | 1.03 | InChI=1S/C22H25ClN4O3/c1-30-20-11-6-14(23)12-18(20)24-13-21(28)25-15-7-9-16(10-8-15)27-19-5-3-2-4-17(19)26-22(27)29/h2-6,11-12,15-16,24H,7-10,13H2,1H3,(H,25,28)(H,26,29)/t15-,16- |
| InChIKey | InChI | 1.03 | ACLPRRFIFVCSJV-WKILWMFISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Cl)cc1NCC(=O)N[C@H]2CC[C@@H](CC2)N3C(=O)Nc4ccccc34 |
| SMILES | CACTVS | 3.370 | COc1ccc(Cl)cc1NCC(=O)N[CH]2CC[CH](CC2)N3C(=O)Nc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl |
