Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1CC2=C(C=CC=C2N(CCN(C)CC=C)C(=O)[C@@H]1OC(C)=O)C(F)(F)F
InChIKey
InChIKey=SXUYEZYCRHATMZ-GBXCKJPGSA-N
Formula
C26H29F3N2O4
Mass
490.523
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Azepines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Lactams Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Alkyl fluorides Organopnictogen compounds Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azepine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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