Compound Identification
SMILES
CN1CCN(CN2C(=O)\C(=N/NC(=O)C3=CC=C(F)C=C3)C3=CC=CC=C23)CC1
InChIKey
InChIKey=NFXARUSCLCQNMA-NMWGTECJSA-N
Formula
C21H22FN5O2
Mass
395.438
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
4-halobenzoic acids and derivatives
Alternative Parents
Indoles and derivatives Benzoyl derivatives N-methylpiperazines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Indole or derivatives - Benzoyl - Fluorobenzene - Halobenzene - N-alkylpiperazine - N-methylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Lactam - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available