Compound Identification
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)C1=C(O)C(=O)N(CCCN2C=CN=C2)C1C1=CC(Br)=CC=C1
InChIKey
InChIKey=WVLDMUAHIXCIHT-UHFFFAOYSA-N
Formula
C26H22BrN3O5
Mass
536.382
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Benzofurans Pyrroline carboxylic acids and derivatives Aryl ketones Anisoles Bromobenzenes Alkyl aryl ethers N-substituted imidazoles Aryl bromides Vinylogous acids Tertiary carboxylic acid amides Furans Heteroaromatic compounds Pyrroles Lactams Enols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - Anisole - Aryl ketone - Pyrroline carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Furan - Vinylogous acid - Imidazole - Tertiary carboxylic acid amide - Pyrrole - Ketone - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Enol - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available