Compound Identification
SMILES
CC1=C(NC(=O)C(=O)C(C2OC(=O)C3=CC=CC=C23)C(=O)C2=CC3=CC=CC=C3C=C2)C=CC(Cl)=C1
InChIKey
InChIKey=JCMZHKDSHQCMEQ-UHFFFAOYSA-N
Formula
C29H20ClNO5
Mass
497.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Phthalides Benzofuranones Naphthalenes Anilides Aryl alkyl ketones N-arylamides Toluenes Beta-diketones Chlorobenzenes Aryl chlorides Fatty amides Secondary carboxylic acid amides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Benzofuranone - Isobenzofuranone - Naphthalene - Phthalide - Isocoumaran - Anilide - N-arylamide - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - 1,3-diketone - Toluene - Aryl chloride - Aryl halide - Fatty amide - Fatty acyl - 1,3-dicarbonyl compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available