Compound Identification
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)C1=C(O)C(=O)N(C1C1=CC(OC)=C(O)C(Br)=C1)C1=NN=C(SCC2=CC=C(F)C=C2)S1
InChIKey
InChIKey=AFYZNYBAIWJBKH-UHFFFAOYSA-N
Formula
C30H21BrFN3O7S2
Mass
698.53
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
Methoxyphenols Benzofurans Anisoles Aryl ketones Methoxybenzenes O-bromophenols Phenoxy compounds Pyrroline carboxylic acids and derivatives Alkylarylthioethers Bromobenzenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Aryl bromides Tertiary carboxylic acid amides Pyrroles Vinylogous acids Furans Heteroaromatic compounds Thiadiazoles Lactams Enols Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organobromides Organonitrogen compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Methoxyphenol - Benzofuran - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Pyrroline carboxylic acid or derivatives - 2-bromophenol - Methoxybenzene - 2-halophenol - Aryl ketone - Alkyl aryl ether - Phenol - Bromobenzene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Heteroaromatic compound - Azole - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Furan - Thiadiazole - Lactam - Carboxamide group - Ketone - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Enol - Ether - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen 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