Compound Identification
SMILES
NC1(CN(CCO)CC2=CC(C(=O)NCC34CC5CC(CC(C5)C3)C4)=C(Cl)C=C2)CC1
InChIKey
InChIKey=JFSIHDMLTPMZTF-UHFFFAOYSA-N
Formula
C25H36ClN3O2
Mass
446.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Benzylamines Phenylmethylamines Aralkylamines Chlorobenzenes Aryl chlorides Vinylogous halides Amino acids and derivatives 1,2-aminoalcohols Secondary carboxylic acid amides Trialkylamines Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkanolamine - Primary aliphatic amine - Alcohol - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Primary alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available