Compound Identification
SMILES
CC1=CC(C)=NC(O[C@H](C(O)=O)[C@]2(NCC(=O)N(CC3=CC=CC=C3Cl)C3=CC=CC=C23)C2=CC=CC=C2)=N1
InChIKey
InChIKey=QCHYZDXDWZKACW-OFSOJUDTSA-N
Formula
C30H27ClN4O4
Mass
543.02
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Phenylpropanoic acids Alpha amino acids and derivatives Alkyl aryl ethers Aralkylamines Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Lactams Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Ether - Secondary aliphatic amine - Azacycle - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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