Compound Identification
SMILES
ClC1=C(C=C(CNC2CN3CCC2CC3)C=C1)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=JCQMTYUFWHATKF-UHFFFAOYSA-N
Formula
C26H36ClN3O
Mass
442.04
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 Quinuclidines Chlorobenzenes Aminopiperidines Aralkylamines Aryl chlorides Vinylogous halides Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Quinuclidine - Aralkylamine - Chlorobenzene - Halobenzene - 3-aminopiperidine - Aryl halide - Piperidine - Aryl chloride - Vinylogous halide - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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