Compound Identification
SMILES
ClC1=CC2=C(C=C1)C(N1CCN(CC1)C(=O)NC1=CC=C(C=C1)C#N)C1=C(C=CC=N1)C=C2CN1CCOCC1
InChIKey
InChIKey=VZDMVXIBOXVRGQ-UHFFFAOYSA-N
Formula
C31H31ClN6O2
Mass
555.08
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 Benzonitriles Aralkylamines N-alkylpiperazines Pyridines and derivatives Aryl chlorides Morpholines Heteroaromatic compounds Ureas Trialkylamines Oxacyclic compounds Nitriles Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-phenylurea - Piperazine-1-carboxamide - Benzonitrile - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Nitrile - Carbonitrile - Ether - Organic oxygen compound - Amine - Cyanide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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