Compound Identification
SMILES
CC(C)CNCc1cc2cc-3c(OCCc4c(O)c(C(O)=O)c(=O)[nH]c-34)cc2n1C
InChIKey
InChIKey=LNKNFZPPWQAVNS-UHFFFAOYSA-N
Formula
C22H25N3O5
Mass
411.458
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
N-alkylindoles Pyridinecarboxylic acids Polyhalopyridines 1-carboxy-2-haloaromatic compounds Pyridinones Methylpyridines Hydroxypyridines Hydroxy fatty acids Heterocyclic fatty acids Branched fatty acids Alkyl aryl ethers N-methylpyrroles Benzenoids Vinylogous amides Vinylogous acids Heteroaromatic compounds Lactams Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - N-alkylindole - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Indole or derivatives - Polyhalopyridine - 1-carboxy-2-haloaromatic compound - Methylpyridine - Hydroxypyridine - Pyridinone - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Substituted pyrrole - Pyridine - N-methylpyrrole - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Amino acid - Lactam - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available