Compound Identification
SMILES
CC(C)N1CCN(C[C@H]2C[C@@]3(C[N@]23)C(=O)C2=C(C)ON=C2C2=CC=C(Br)C=C2)CC1
InChIKey
InChIKey=JAYOZPONYABLCR-RRBBIIPZSA-N
Formula
C23H29BrN4O2
Mass
473.415
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 Aryl alkyl ketones
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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
Direct Parent
Aryl alkyl ketones
Alternative Parents
N-alkylpiperazines Bromobenzenes Aryl bromides Beta-amino ketones Gamma-amino ketones Pyrrolidines Alpha-amino ketones Isoxazoles Heteroaromatic compounds Trialkylamines Azetidines Oxacyclic compounds Azacyclic compounds Aziridines Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl alkyl ketone - Bromobenzene - Halobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - 1,4-diazinane - Gamma-aminoketone - Piperazine - Benzenoid - Pyrrolidine - Isoxazole - Heteroaromatic compound - Azole - Alpha-aminoketone - Azetidine - Tertiary aliphatic amine - Tertiary amine - Aziridine - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available