Compound Identification
SMILES
COC1=C(OCCCOC2=NC(C)=NC(=C2)C2=CC=C(F)C=C2)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1
InChIKey
InChIKey=LFEWRLNEOAGMCF-FQEVSTJZSA-N
Formula
C27H27FN4O4
Mass
490.535
Taxonomic Classification
Taxonomy Tree
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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
Pyrrolo[2,1-c][1,4]benzodiazepines
Alternative Parents
Phenylpyrimidines Anisoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Tertiary carboxylic acid amides Pyrrolidines Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organofluorides Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-c][1,4]benzodizepine - 4-phenylpyrimidine - 5-phenylpyrimidine - Anisole - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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