Compound Identification
SMILES
CCOC(=O)C1=NN(C(C(C)C)=C1C(NC1=CN(C)C(=O)C(Cl)=C1)C1=CC=C(C=C1)C#N)C1=CN=C(N=C1OC)N(C)C(=O)OC(C)(C)C
InChIKey
InChIKey=DEQAICGHPKOZMO-UHFFFAOYSA-N
Formula
C34H39ClN8O6
Mass
691.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
Benzonitriles Secondary alkylarylamines Pyridinones Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Dihydropyridines Pyrimidines and pyrimidine derivatives Aryl chlorides Carbamate esters Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Nitriles Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Benzonitrile - Alkyl aryl ether - Dihydropyridine - Aminopyridine - Pyridinone - Secondary aliphatic/aromatic amine - Aralkylamine - Hydropyridine - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Lactam - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary amine - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organochloride - Cyanide - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors
Not available