AVK
Summary
| Name: | ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine |
| Formula: | C18 H18 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 311.809 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18ClN3/c19-17-12-14(13-20-9-8-18-21-10-11-22-18)6-7-16(17)15-4-2-1-3-5-15/h1-7,10-12,20H,8-9,13H2,(H,21,22) |
| InChIKey | InChI | 1.03 | HVVNUZVTSIFMPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3 |
