Compound Identification
SMILES
CNC1=CC=C(OCC2COC(CCC3=CC=C(Cl)C=C3)(CN3C=CN=C3)O2)C=C1
InChIKey
InChIKey=KSRJBHKQGOTHFI-UHFFFAOYSA-N
Formula
C23H26ClN3O3
Mass
427.93
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
Aminophenyl ethers Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Ketals Chlorobenzenes N-substituted imidazoles Aryl chlorides 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Aminophenyl ether - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Ketal - Aryl chloride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Meta-dioxolane - Imidazole - Secondary amine - Azacycle - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - 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