HLM
Summary
| Name: | N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide |
| Formula: | C19 H21 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 356.849 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(1~{S})-1-(3-chlorophenyl)ethyl]-3-[(4,5-dihydro-1~{H}-imidazol-2-ylamino)methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(cc(C(=O)NC(C)c1cccc(c1)Cl)ccc2)CNC3=NCCN3 |
| InChI | InChI | 1.03 | InChI=1S/C19H21ClN4O/c1-13(15-5-3-7-17(20)11-15)24-18(25)16-6-2-4-14(10-16)12-23-19-21-8-9-22-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,24,25)(H2,21,22,23)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | ZHGJIKXLESXIHK-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)c1cccc(CNC2=NCCN2)c1)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cccc(CNC2=NCCN2)c1)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3 |
