Compound Identification
SMILES
COC1=C(OCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1
InChIKey
InChIKey=ZYVHAFVXOSOXOK-KRWDZBQOSA-N
Formula
C27H23N3O5
Mass
469.497
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
Pyrrolo[2,1-c][1,4]benzodiazepines
Alternative Parents
Isoquinolones and derivatives Naphthalenes Anisoles Alkyl aryl ethers N-substituted carboxylic acid imides Tertiary carboxylic acid amides Pyrrolidines Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-c][1,4]benzodizepine - Isoquinolone - Naphthalene - Anisole - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Imine - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.
External Descriptors
Not available