Compound Identification
SMILES
CC1=NC=CN1CCC1=CC2=C(C=CC(Cl)=C2)C(N2CCN(CC2)C(=O)NC2=CC=C(F)C=C2)C2=C1C=CC=N2
InChIKey
InChIKey=VKWCAXSQCSPSEV-UHFFFAOYSA-N
Formula
C31H30ClFN6O
Mass
557.07
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzocycloheptapyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzocycloheptapyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzocycloheptapyridines
Alternative Parents
N-phenylureas Piperazine carboxamides Aralkylamines N-alkylpiperazines Fluorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-phenylurea - Piperazine-1-carboxamide - Halobenzene - Fluorobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - N-substituted imidazole - Aryl fluoride - Aryl halide - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Benzenoid - Pyridine - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Urea - Azacycle - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
External Descriptors
Not available