ZU4
Summary
| Name: | 1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE |
| Formula: | C18 H22 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 303.826 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 1-[(2-chlorophenyl)methyl]-4-hexyl-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(cccc1)CN2C=CC(=CC2=O)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3 |
| InChIKey | InChI | 1.03 | PJBRBZYHOXOPFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC1=CC(=O)N(Cc2ccccc2Cl)C=C1 |
| SMILES | CACTVS | 3.385 | CCCCCCC1=CC(=O)N(Cc2ccccc2Cl)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl |
