Compound Identification
SMILES
CN(CC1=CC=C(NC(=O)C2=CC3=C(OCC2)C=CC(=C3)C2=CC=C(C)C=C2)C=C1)C1CCSCC1
InChIKey
InChIKey=HJPAWRVVDXJZRN-UHFFFAOYSA-N
Formula
C31H34N2O2S
Mass
498.69
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
Anilides Benzylamines N-arylamides Phenylmethylamines Alkyl aryl ethers Aralkylamines Toluenes Thianes Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Anilide - Benzylamine - N-arylamide - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Thiane - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Dialkylthioether - Carboxylic acid derivative - Ether - Thioether - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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