Compound Identification
SMILES
CC(=O)NCCNC1CN(CC2=CC(Cl)=CC=C2)CC(N1NC(C)=O)C1=NC(=NC=C1)C1=CC=CC=C1
InChIKey
InChIKey=KQMGHDTWVQVUMB-UHFFFAOYSA-N
Formula
C27H32ClN7O2
Mass
522.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines N-alkylpiperazines Aralkylamines Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Acetamides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Carboxylic acid hydrazides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmethylamine - Benzylamine - Halobenzene - Chlorobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Aryl chloride - Aryl halide - Piperazine - Pyrimidine - Heteroaromatic compound - Acetamide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid hydrazide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available