Compound Identification
SMILES
COC1=C(CC2=NC(N)=NC(NC3=CC=C(C=C3)C#N)=N2)C=C(C=C1)C(C)=O
InChIKey
InChIKey=QZPBCAYTGXYGCU-UHFFFAOYSA-N
Formula
C20H18N6O2
Mass
374.404
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
Acetophenones 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzonitriles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1,3,5-triazines Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenol ether - Benzoyl - Benzonitrile - Aryl alkyl ketone - Aniline or substituted anilines - Methoxybenzene - Anisole - Phenoxy compound - 2,4-diamine-s-triazine - Aminotriazine - Amino-1,3,5-triazine - Alkyl aryl ether - Triazine - Monocyclic benzene moiety - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Carbonitrile - Nitrile - Organopnictogen compound - Amine - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - 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