Compound Identification
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C1=NC(CC2=CC=C(Cl)C=C2)=NO1
InChIKey
InChIKey=BKQJHPGNSRJLGX-UHFFFAOYSA-N
Formula
C22H24ClN3O3
Mass
413.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
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Subclass
Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carbamate esters 1,2,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Carbamic acid ester - Oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors
Not available