Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H](CNC(=O)C1=CC=CC=C1C1=CC=CC=C1C#N)[NH+]1CCOCC1
InChIKey
InChIKey=LXECIZZAEPWPDB-AREMUKBSSA-O
Formula
C27H28N3O3
Mass
442.538
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
Benzamides Anisoles Benzonitriles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Aralkylamines Alkyl aryl ethers Morpholines Quaternary ammonium salts Trialkylamines Secondary carboxylic acid amides Nitriles Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Morpholine - Oxazinane - Quaternary ammonium salt - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available