Compound Identification
SMILES
COC1=C(C(=O)C2=CN=C(NC3CCNCC3)N=C2N)C(F)=CC=C1
InChIKey
InChIKey=SIGCKJAVIAOHEN-UHFFFAOYSA-N
Formula
C17H20FN5O2
Mass
345.378
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
Phenylketones
- Level 8 Aryl-phenylketones
-
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
Aryl-phenylketones
Alternative Parents
Pyrimidinecarboxylic acids and derivatives Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Piperidines Imidolactams Heteroaromatic compounds Vinylogous amides Vinylogous halides Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Pyrimidine-5-carboxylic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous halide - Heteroaromatic compound - Vinylogous amide - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Amine - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available