Compound Identification
SMILES
CC(O)CO.CN1C2=C(C=C(Cl)C=C2)C(NC(CC2=CC3=CC=CC=C3C=C2)C1=O)=C1C=CC(=O)C=C1
InChIKey
InChIKey=OUEVZPBAWRGXQW-UHFFFAOYSA-N
Formula
C30H29ClN2O4
Mass
517.02
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 Naphthalenes P-quinomethanes Aralkylamines Aryl chlorides Tertiary carboxylic acid amides 1,2-diols Tertiary amines Secondary alcohols Lactams Enamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Primary alcohols Organochlorides Organic oxides
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - Naphthalene - Alpha-amino acid or derivatives - P-quinomethane - Quinomethane - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Ketone - Lactam - 1,2-diol - Carboxamide group - Tertiary amine - Secondary alcohol - Cyclic ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Enamine - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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