Compound Identification
SMILES
COC1=CC=CC(NC(=O)C2CC[NH+](CC3=C(N4C=CC=C4)N(N=C3)C3=CC=CC=C3)CC2)=C1
InChIKey
InChIKey=WNCALWIAHXATTF-UHFFFAOYSA-O
Formula
C27H30N5O2
Mass
456.569
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Anilides Methoxyanilines Piperidinecarboxamides Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Piperidinecarboxamide - Anilide - Methoxyaniline - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aralkylamine - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Piperidine - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available