Compound Identification
SMILES
CN1CCOC(C2=CC=CC=C2)C2=CC=CC=C2C1.ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1
InChIKey
InChIKey=BWMHLLYYJBLSBA-UHFFFAOYSA-N
Formula
C36H36ClN3O2
Mass
578.15
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
Alpha amino acids and derivatives Aralkylamines Aryl chlorides Benzene and substituted derivatives Tertiary carboxylic acid amides Trialkylamines Ketimines Lactams Dialkyl ethers Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketimine - Lactam - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Imine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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