Compound Identification
SMILES
COC(=O)C1=C(CN2CCN(CC2)C(=O)OC2=CC=CC=C2)NC(=NC1C1=C(Br)C=C(F)C=C1)C1=C(F)C=CC=N1
InChIKey
InChIKey=VVVDUVXSXGRLMX-UHFFFAOYSA-N
Formula
C29H26BrF2N5O4
Mass
626.459
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
- Subclass Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Piperazine carboxylic acids and derivatives
Direct Parent
Piperazine carboxylic acids
Alternative Parents
Hydropyrimidine carboxylic acids and derivatives Phenoxy compounds Bromobenzenes N-alkylpiperazines Fluorobenzenes Pyridines and derivatives Aryl bromides Aryl fluorides Imidolactams Vinylogous amides Carbamate esters Enoate esters Methyl esters Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Enamines Monocarboxylic acids and derivatives Organofluorides Organobromides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Piperazine-1-carboxylic acid - Phenoxy compound - Halobenzene - Bromobenzene - Fluorobenzene - N-alkylpiperazine - Hydropyrimidine - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carbamic acid ester - Methyl ester - Enoate ester - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Amidine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid amidine - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Enamine - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
External Descriptors
Not available