Compound Identification
SMILES
COC1=CC2=C(C=C1)N1C(C)=NN=C1[C@H](NC(=O)C1=CC=CC(=C1)C1=CC3=C(COB3O)C=C1)N=C2C1=CC=C(Cl)C=C1
InChIKey
InChIKey=AVSAWRMOJPNPBJ-PMERELPUSA-N
Formula
C32H25BClN5O4
Mass
589.84
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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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
Benzamides Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Triazoles Oxaborole derivatives Boronic acid esters Heteroaromatic compounds Secondary carboxylic acid amides Ketimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic metalloid salts Hydrocarbon derivatives Organometalloid compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Boronic acid ester - 1,2-oxaborole derivative - 1,2,4-triazole - Boronic acid derivative - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organohalogen compound - Imine - 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