Compound Identification
SMILES
C[C@H](CC1=CN=CN1)N\C(C1=CC=CC=C1)=C1\C(Cl)=CC(F)=CC1=O
InChIKey
InChIKey=LMUGREJVRAZXIN-AKDSAVJFSA-N
Formula
C19H17ClFN3O
Mass
357.81
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
Aralkylamines Benzene and substituted derivatives Vinylogous halides Vinylogous amides Imidazoles Heteroaromatic compounds Vinyl fluorides Vinyl chlorides Azacyclic compounds Chloroalkenes Fluoroalkenes Enamines Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous halide - Vinylogous amide - Secondary aliphatic amine - Enamine - Azacycle - Vinyl chloride - Vinyl fluoride - Vinyl halide - Fluoroalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organofluoride - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - 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