Compound Identification
SMILES
Cl.Cl.FC1=CC=C(C=C1)C1CCCN(CCN2CCN(CCOC(=O)C3=CC=CC=C3Cl)CC2)C2=C1C=CC(F)=C2
InChIKey
InChIKey=HEFZVTGJLHYMIE-UHFFFAOYSA-N
Formula
C31H36Cl3F2N3O2
Mass
626.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
2-halobenzoic acids and derivatives Benzoic acid esters Dialkylarylamines Benzoyl derivatives Aralkylamines N-alkylpiperazines Azepines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Organooxygen compounds Hydrochlorides Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepine - Chlorobenzene - Aralkylamine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Vinylogous halide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available