Compound Identification
SMILES
NC1=CN=C(N(CC(=O)NC(CC2=CC=CC=C2)C(=O)C2=NC3=C(O2)C=CC(=C3)C(O)=O)C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=WCVIFBQCHLWPOT-UHFFFAOYSA-N
Formula
C29H22FN5O6
Mass
555.522
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
Benzoxazoles Aryl alkyl ketones Pyrimidones Aminopyrimidines and derivatives Fluorobenzenes Hydropyrimidines Aryl fluorides Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Lactams Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - Benzoxazole - Aryl alkyl ketone - Aryl ketone - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyrimidone - Aryl halide - Aryl fluoride - Pyrimidine - Hydropyrimidine - Azole - Oxazole - Heteroaromatic compound - Ketone - Lactam - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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