Compound Identification
SMILES
ClC1=CC2=C(C=C1)C(N1CCN([C@H](C1)C(=O)N(CCCC1=CN=CN1)CC1=CC=CC=C1)C(=O)OC1CCCCC1)C1=NC=C(Br)C=C1CC2
InChIKey
InChIKey=PHMNKHXOCLDNLV-BNWGQQNKSA-N
Formula
C39H44BrClN6O3
Mass
760.17
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
Alpha amino acids and derivatives Piperazine carboxylic acids Piperazine carboxamides Aralkylamines N-alkylpiperazines Aryl bromides Aryl chlorides Benzene and substituted derivatives Pyridines and derivatives Imidazoles Heteroaromatic compounds Carbamate esters Tertiary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Alpha-amino acid or derivatives - Piperazine-2-carboxamide - Piperazine-1-carboxylic acid - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Pyridine - Azole - Heteroaromatic compound - Carbamic acid ester - Imidazole - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organochloride - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organobromide - Organic oxygen 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