Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1CC2=C(C=CC=C2N(CCNCCN2CCOCC2)C(=O)[C@@H]1O)C(F)(F)F
InChIKey
InChIKey=YXIJRNXHLGGVHF-GBXCKJPGSA-N
Formula
C26H32F3N3O4
Mass
507.554
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
Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Azepines Morpholines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Secondary alcohols Lactams Dialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Azepine - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Tertiary carboxylic acid amide - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Secondary aliphatic amine - Dialkyl ether - Alcohol - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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