Compound Identification
SMILES
CC(C)N1C[C@@H](CN(C)CC2=CC=C(Cl)C=C2)OC2=C(C=CC=C2C1=O)C1=NN=C(O1)C1=CC=NC=C1
InChIKey
InChIKey=XVVBVIKLXWMSRJ-JOCHJYFZSA-N
Formula
C28H28ClN5O3
Mass
518.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Phenylmethylamines Benzylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes Pyridines and derivatives Aryl chlorides Tertiary carboxylic acid amides 1,3,4-oxadiazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Oxadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - 1,3,4-oxadiazole - Azole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available