Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1CC2=C(C=CC=C2N(CCNCCCNC(=O)CCC2=CC=C3CC4C(C)=CC(C)=[N+]4[B-](F)(F)N23)C(=O)[C@@H]1O)C(F)(F)F
InChIKey
InChIKey=BYBTVZWJJXMRGO-QPBWEPDASA-N
Formula
C37H43BF5N5O4
Mass
727.58
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 Substituted pyrroles Fatty amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary alcohols Lactams Dialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic metalloid salts Organic zwitterions Organofluorides Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azepine - Fatty amide - Substituted pyrrole - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Amino acid or derivatives - Carboxamide group - Ether - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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