Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)C1CCN(CC1)C1=NC(=NC(=N1)C#N)N1CCOCC1
InChIKey
InChIKey=QBVCDJOMJPOECH-UHFFFAOYSA-N
Formula
C20H21ClN6O2
Mass
412.88
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
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 - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
1,3,5-triazine-2,4-diamines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Chlorobenzenes Piperidines 1,3,5-triazines Aryl chlorides Morpholines Gamma-amino ketones Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2,4-diamine-s-triazine - Aryl alkyl ketone - Dialkylarylamine - Benzoyl - Amino-1,3,5-triazine - Aminotriazine - Halobenzene - Chlorobenzene - Morpholine - 1,3,5-triazine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Triazine - Piperidine - Oxazinane - Gamma-aminoketone - Aryl chloride - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Cyanide - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available