Compound Identification
SMILES
COC(=O)C1=C[C@H](CN=C1OC)C1=CN=C(NC2=CC(Cl)=CC(N)=C2)N=C1N1N=C(C=C1C)C(F)(F)F
InChIKey
InChIKey=HQJAYIIEYXOJNS-GFCCVEGCSA-N
Formula
C23H21ClF3N7O3
Mass
535.91
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactones Pyrazoles Methyl esters Heteroaromatic compounds Enoate esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Primary amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Aniline or substituted anilines - Halobenzene - Aminopyrimidine - Chlorobenzene - Aryl chloride - Aryl halide - Imidolactone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Imido ester - Amino acid or derivatives - Carboxylic acid ester - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors
Not available