Compound Identification
SMILES
CN(C1=CC=C(Cl)C=C1)C1=C\C(C(=O)C=C1)=C1/NC(N)=C(C=C1)C(=O)NCCCN1CCOCC1
InChIKey
InChIKey=DXIFZRYZSMDOEJ-GHVJWSGMSA-N
Formula
C26H30ClN5O3
Mass
496.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic 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 - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Aniline and substituted anilines Tertiary alkylarylamines Chlorobenzenes Dihydropyridines Aryl chlorides Morpholines Vinylogous amides Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Ketene acetals Dialkyl ethers Oxacyclic compounds Enamines Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Morpholine - Oxazinane - Benzenoid - Vinylogous amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Ketene acetal or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Azacycle - Enamine - Ether - Oxacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available