Compound Identification
SMILES
COC1=CC=C(C=C1)N(C(C)C)C(=O)CN1C2=CC=CC=C2C(C)=NC(NC(=O)NC2=CC=CC=C2)C1=O
InChIKey
InChIKey=KWHKGTGAMXKOJQ-UHFFFAOYSA-N
Formula
C29H31N5O4
Mass
513.598
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
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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 N-phenylureas Anilides Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Ureas Tertiary amines Lactams Ketimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketimine - Lactam - Tertiary amine - Urea - Ether - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Imine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen 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