Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1NCC2=C(C=C(Cl)C=C2)N2C=CC=C12
InChIKey
InChIKey=IUPLMMUNMBOEFD-UHFFFAOYSA-N
Formula
C21H21ClN2
Mass
336.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Aromatic monoterpenoids Phenylpropanes Cumenes Aralkylamines Aryl chlorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Secondary aliphatic amine - Secondary amine - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available