Compound Identification
SMILES
CO\N=C(/CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1)C(CCN1CCC(CC1)N1CCCN(CC2=NNN=N2)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=QRZPZCTTWXTFAH-FDEZRRJOSA-N
Formula
C31H39Cl2N9O3
Mass
656.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Dichlorobenzenes Aralkylamines Pyrimidones Piperidines Diazinanes Aryl chlorides Heteroaromatic compounds Tetrazoles Tertiary carboxylic acid amides Oxime ethers Trialkylamines Ureas Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Aralkylamine - Chlorobenzene - Pyrimidone - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Pyrimidine - 1,3-diazinane - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Oxime ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available