Compound Identification
SMILES
O=C(NC1[C@H]2COC3=C(C=CC(=C3)C#N)[C@@H]12)NC1=NC=C(C=C1)C#N
InChIKey
InChIKey=HDEPNVFCSYZHLF-XVMZJDAESA-N
Formula
C18H13N5O2
Mass
331.335
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
1-benzopyrans 3-pyridinecarbonitriles Alkyl aryl ethers Imidolactams Benzenoids Heteroaromatic compounds Ureas Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Chromane - Benzopyran - 1-benzopyran - 3-pyridinecarbonitrile - Alkyl aryl ether - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Urea - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxide - 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