SJI
Summary
| Name: | N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide |
| Formula: | C24 H36 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 412.568 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-ethyl-2-methyl-1-[(3~{S},4~{S})-3-methyl-1-[(1-oxidanylcyclohexyl)methyl]piperidin-4-yl]benzimidazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCNC(=O)c1cc2nc(C)n(C3CCN(CC4(O)CCCCC4)CC3C)c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-22-20(14-19)26-18(3)28(22)21-10-13-27(15-17(21)2)16-24(30)11-6-5-7-12-24/h8-9,14,17,21,30H,4-7,10-13,15-16H2,1-3H3,(H,25,29)/t17-,21-/m0/s1 |
| InChIKey | InChI | 1.06 | WGCGFOZDARLLJO-UWJYYQICSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1ccc2n([C@H]3CCN(C[C@@H]3C)CC4(O)CCCCC4)c(C)nc2c1 |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1ccc2n([CH]3CCN(C[CH]3C)CC4(O)CCCCC4)c(C)nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc2c(c1)nc(n2[C@H]3CCN(C[C@@H]3C)CC4(CCCCC4)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc2c(c1)nc(n2C3CCN(CC3C)CC4(CCCCC4)O)C |
