Compound Identification
SMILES
OC1=CC=C(CC2NC(=C3C=CC(=O)C=C3)C3=C(C=CC(Cl)=C3)N(CC#N)C2=O)C=C1
InChIKey
InChIKey=PPFBUZPDWBLGPI-UHFFFAOYSA-N
Formula
C24H18ClN3O3
Mass
431.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Alpha amino acids and derivatives P-quinomethanes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl chlorides Tertiary carboxylic acid amides Lactams Nitriles Enamines Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - P-quinomethane - Quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Ketone - Cyclic ketone - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Secondary amine - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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