Compound Identification
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=O)[C@@H]3C(=O)[C@]2(C)C(=O)C2=C1ON=C2C)C(OCC1=CC=CC=C1)=C(N)N=C4Cl
InChIKey
InChIKey=NEEMAFNLYMLXTG-QGQZAFNPSA-N
Formula
C29H29ClN4O5
Mass
549.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
- Level 7 Aryl alkyl ketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones
Direct Parent
Aryl alkyl ketones
Alternative Parents
2-halopyridines Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Beta-diketones Aryl chlorides Benzene and substituted derivatives Imidolactams Isoxazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl alkyl ketone - Alkyl aryl ether - 2-halopyridine - Aminopyridine - Aralkylamine - 1,3-diketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - 1,3-dicarbonyl compound - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Isoxazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Oxacycle - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available