Compound Identification
SMILES
COC1=C(OCC(O)CN2CCCC2)C=C2CC3=C(NN=C3NC3=CC(Cl)=CC=C3)C2=C1
InChIKey
InChIKey=KHSNPCQAKPXLFV-UHFFFAOYSA-N
Formula
C24H27ClN4O3
Mass
454.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
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Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Aniline and substituted anilines Chlorobenzenes Alkyl aryl ethers N-alkylpyrrolidines Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anisole - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-alkylpyrrolidine - Imidolactam - Pyrrolidine - Pyrazole - Heteroaromatic compound - Azole - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organochloride - Amine - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available