C4C
Summary
| Name: | N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine |
| Formula: | C16 H20 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 289.803 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine |
| OpenEye OEToolkits | 1.5.0 | N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)CN(c2ncccc2)CCN(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2 |
| SMILES | CACTVS | 3.341 | CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CC[N@@](Cc1ccc(cc1)Cl)c2ccccn2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCN(Cc1ccc(cc1)Cl)c2ccccn2 |
| InChI | InChI | 1.03 | InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3 |
| InChIKey | InChI | 1.03 | ICKFFNBDFNZJSX-UHFFFAOYSA-N |
