AWK
Summary
| Name: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine |
| Formula: | C25 H26 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 403.947 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H26ClN3/c1-3-19-8-4-5-9-20(19)21-12-11-18(15-22(21)26)16-27-14-13-24-28-23-10-6-7-17(2)25(23)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29) |
| InChIKey | InChI | 1.03 | RNRFIGKNUWHRPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccccc1c2ccc(CNCCc3[nH]c4c(C)cccc4n3)cc2Cl |
| SMILES | CACTVS | 3.385 | CCc1ccccc1c2ccc(CNCCc3[nH]c4c(C)cccc4n3)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C |
