Compound Identification
SMILES
O=C(N[C@@H]1CCCOC2=CC=CC=C12)C1=NC2=C(C=C1)C=NC=C2
InChIKey
InChIKey=PLKFLHGURBRELW-MRXNPFEDSA-N
Formula
C19H17N3O2
Mass
319.364
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
Naphthyridines Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Alkyl aryl ethers Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Diazanaphthalene - Naphthyridine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - 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