Compound Identification
SMILES
COC1=CC(CN2CCC(CCN3CCC(CC3)C(=O)C3=NC4=CC=CC=C4N3CC3=CC=CC=N3)(CC3=C(F)C=C(F)C=C3)C2=O)=CC(OC)=C1OC
InChIKey
InChIKey=CHTVZUCDRRUXKK-UHFFFAOYSA-N
Formula
C42H45F2N5O5
Mass
737.849
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Benzimidazoles Aryl alkyl ketones Methoxybenzenes Phenoxy compounds Anisoles Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Pyrrolidine-2-ones Gamma-amino ketones Pyridines and derivatives Piperidines N-substituted imidazoles N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Benzimidazole - Anisole - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Halobenzene - Fluorobenzene - Alkyl aryl ether - Aralkylamine - N-substituted imidazole - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Pyridine - Piperidine - Aryl halide - Gamma-aminoketone - Aryl fluoride - Azole - Tertiary carboxylic acid amide - Imidazole - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Ketone - Lactam - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available