Compound Identification
SMILES
CC(C#N)C1=CC=CC(=C1)C(=O)NCC1=CC=CC(CNC2=CC(=NC3=C(Br)C=NN23)C2=CC=CC=C2Cl)=C1
InChIKey
InChIKey=RRQIEXWBGZHIIJ-UHFFFAOYSA-N
Formula
C30H24BrClN6O
Mass
599.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 N-benzylbenzamides
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
N-benzylbenzamides
Alternative Parents
Phenylpyrimidines Pyrazolo[1,5-a]pyrimidines Benzoyl derivatives Benzylamines Aminopyrimidines and derivatives Chlorobenzenes Aryl bromides Aryl chlorides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Organic oxides Organobromides Amines Organochlorides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzylbenzamide - 4-phenylpyrimidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Benzoyl - Benzylamine - Chlorobenzene - Halobenzene - Aminopyrimidine - Aryl bromide - Pyrimidine - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
External Descriptors
Not available