Compound Identification
SMILES
CC1=NC=CN1CC(C)(O)C1=CC2=C(N=CC=C2)C(N2CCN(CC2)C(=O)NC2=CC=C(C=C2)C(F)(F)F)C2=C1C=C(Cl)C=C2
InChIKey
InChIKey=RQQNCMYAFCIQMO-UHFFFAOYSA-N
Formula
C33H32ClF3N6O2
Mass
637.1
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
Trifluoromethylbenzenes N-phenylureas Piperazine carboxamides Aralkylamines N-alkylpiperazines Aryl chlorides N-substituted imidazoles Pyridines and derivatives Tertiary alcohols Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-phenylurea - Trifluoromethylbenzene - Piperazine-1-carboxamide - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyridine - Heteroaromatic compound - Azole - Imidazole - Tertiary alcohol - Tertiary amine - Urea - Tertiary aliphatic amine - Azacycle - Amine - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organochloride - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - Organooxygen compound - Organic oxide - Organonitrogen 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