Compound Identification
SMILES
COC1=C(NC(=O)NC2=CC(=C(Cl)C=C2)C(F)(F)F)C=CC(=C1)C1=C2N(N=CN=C2N)C(CN2CCOCC2)=C1
InChIKey
InChIKey=IRXBRAFLWOOWBZ-UHFFFAOYSA-N
Formula
C26H25ClF3N7O3
Mass
575.98
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Trifluoromethylbenzenes N-phenylureas Methoxyanilines Pyrrolo[2,1-f][1,2,4]triazines Methoxybenzenes Phenoxy compounds Anisoles Chlorobenzenes Aralkylamines Alkyl aryl ethers 1,2,4-triazines Morpholines Aryl chlorides Imidolactams Heteroaromatic compounds Trialkylamines Ureas Oxacyclic compounds Azacyclic compounds Dialkyl ethers Primary amines Organic oxides Organochlorides Organofluorides Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - Trifluoromethylbenzene - N-phenylurea - Pyrrolo[2,1-f][1,2,4]triazine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Triazine - Benzenoid - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Amine - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Organic oxide - Carbonyl group - Alkyl fluoride - Primary amine - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available