Compound Identification
SMILES
CCOC(=O)C1=C(NC(C)=C(C1C=C1C2=CC=CC=C2C2C(C3=CC=CC=C13)C2(F)F)C(=O)OCC#CC1=CN=CC=C1)C1=CC=C(C=C1)N1CCN(C)CC1
InChIKey
InChIKey=NDHYWRUWBJKGHQ-UHFFFAOYSA-N
Formula
C46H42F2N4O4
Mass
752.863
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Dibenzocycloheptenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Dibenzocycloheptenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzocycloheptenes
Alternative Parents
Cinnamic acid esters Phenylpiperazines N-arylpiperazines Dihydropyridinecarboxylic acids and derivatives Aniline and substituted anilines Dialkylarylamines N-methylpiperazines Dicarboxylic acids and derivatives Heteroaromatic compounds Enoate esters Vinylogous amides Trialkylamines Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzocycloheptene - Cinnamic acid or derivatives - Phenylpiperazine - N-arylpiperazine - Cinnamic acid ester - Dihydropyridinecarboxylic acid derivative - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Dihydropyridine - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydropyridine - Piperazine - Pyridine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Organoheterocyclic compound - Enamine - Carboxylic acid derivative - Secondary aliphatic amine - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
External Descriptors
Not available