Compound Identification
SMILES
NCCNC1=CC=C(CCCCN=C(N)NC(=O)C2=C(N)N=C(N)C(Cl)=N2)C=C1
InChIKey
InChIKey=WPGHFWFUZZMHDO-UHFFFAOYSA-N
Formula
C18H26ClN9O
Mass
419.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Pyrazinecarboxamides Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Aminopyrazines Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organooxygen compounds Organic oxides Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Phenylalkylamine - Aniline or substituted anilines - Aminopyrazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Pyrazine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Guanidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available