Compound Identification
SMILES
CCCN(CCC1CCN(CC(=O)N2CCCC(C3=CC=C(F)C=C3)C3=C2C=C(F)C=C3)CC1)C(=O)OC(C)(C)C
InChIKey
InChIKey=QQNMDNBTQXNVMZ-UHFFFAOYSA-N
Formula
C33H45F2N3O3
Mass
569.738
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
Alpha amino acids and derivatives Fluorobenzenes Azepines Piperidines Aryl fluorides Tertiary carboxylic acid amides Carbamate esters Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Alpha-amino acid or derivatives - Azepine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Piperidine - Carbamic acid ester - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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