Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)N1CCN(CC2=NOC3=CC=CC=C23)CC1
InChIKey
InChIKey=RSVQXCNGZVAASF-UHFFFAOYSA-N
Formula
C19H18ClN3O2
Mass
355.82
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzisoxazoles Benzoyl derivatives Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzisoxazole - Benzoyl - Aralkylamine - Halobenzene - N-alkylpiperazine - Chlorobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Isoxazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available