Compound Identification
SMILES
CN1N=NC(=N1)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)[C@H]1CCCN(CCC(C)(C)CC(O)=O)C2=C1C=C1COCC1=C2
InChIKey
InChIKey=BIYYZNPVJCJREK-DEOSSOPVSA-N
Formula
C30H34F6N6O3
Mass
640.631
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
Trifluoromethylbenzenes Isocoumarans Benzylamines Dialkylarylamines Aralkylamines Azepines Heteroaromatic compounds Tetrazoles Amino acids Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Trifluoromethylbenzene - Isocoumaran - Benzylamine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available