Compound Identification
SMILES
Cl.OC(=O)C1=CC(NCC(CCC2=CC=C(C=C2)C#N)C2(O)CCNCC2)=CC=C1
InChIKey
InChIKey=JCCXIJAAFMUXGV-UHFFFAOYSA-N
Formula
C23H28ClN3O3
Mass
429.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
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
Aminobenzoic acids Benzoic acids Phenylalkylamines Aniline and substituted anilines Benzonitriles Benzoyl derivatives Secondary alkylarylamines Piperidines Tertiary alcohols 1,3-aminoalcohols Amino acids Nitriles Azacyclic compounds Dialkylamines Carboxylic acids Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Benzonitrile - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Piperidine - Tertiary alcohol - 1,3-aminoalcohol - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Nitrile - Secondary aliphatic amine - Carbonitrile - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - Alcohol - 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