A1EMG
Summary
| Name: | 3-(1H-benzimidazol-5-yl)-5-[1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-4-yl]oxy-1H-benzimidazol-2-one |
| Formula: | C29 H29 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 527.571 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-benzimidazol-5-yl)-5-[1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-4-yl]oxy-1~{H}-benzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H29N5O5/c1-37-26-8-3-18(13-27(26)38-2)14-28(35)33-11-9-20(10-12-33)39-21-5-7-23-25(16-21)34(29(36)32-23)19-4-6-22-24(15-19)31-17-30-22/h3-8,13,15-17,20H,9-12,14H2,1-2H3,(H,30,31)(H,32,36) |
| InChIKey | InChI | 1.06 | VARRNOOVAYKSMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC(=O)N2CCC(CC2)Oc3ccc4NC(=O)N(c5ccc6[nH]cnc6c5)c4c3)cc1OC |
| SMILES | CACTVS | 3.385 | COc1ccc(CC(=O)N2CCC(CC2)Oc3ccc4NC(=O)N(c5ccc6[nH]cnc6c5)c4c3)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)CC(=O)N2CCC(CC2)Oc3ccc4c(c3)N(C(=O)N4)c5ccc6c(c5)nc[nH]6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)CC(=O)N2CCC(CC2)Oc3ccc4c(c3)N(C(=O)N4)c5ccc6c(c5)nc[nH]6 |
