VMN
Summary
Name: | 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one |
Formula: | C12 H10 Cl N O2 |
Formal charge: | 0 |
Formula weight: | 235.666 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one |
OpenEye OEToolkits | 2.0.7 | 1-[(4-chlorophenyl)methyl]-4-oxidanyl-pyridin-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)CN1C=CC(O)=CC1=O |
InChI | InChI | 1.06 | InChI=1S/C12H10ClNO2/c13-10-3-1-9(2-4-10)8-14-6-5-11(15)7-12(14)16/h1-7,15H,8H2 |
InChIKey | InChI | 1.06 | BQQOYSQBBQLOAB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC(=O)N(Cc2ccc(Cl)cc2)C=C1 |
SMILES | CACTVS | 3.385 | OC1=CC(=O)N(Cc2ccc(Cl)cc2)C=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2C=CC(=CC2=O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2C=CC(=CC2=O)O)Cl |