1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione
Basic information
- CAS
79023-53-3- Standard SMILES
C=C1c2ccccc2CC(C)(C)N1C(=O)C(=O)CC(=O)c1ccccc1- InChIKey
BPLBNRJSDGNDJH-UHFFFAOYSA-N- Molecular formula
- C22H21NO3
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.15214353
Names & identifiers
- Preferred name
- 1-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione
- IUPAC
- 1-(3,3-dimethyl-1-methylidene-4H-isoquinolin-2-yl)-4-phenylbutane-1,2,4-trione
Names & synonyms
DTXSID901124490AKOS0243503701-(3,4-Dihydro-3,3-dimethyl-1-methylene-2(1H)-isoquinolinyl)-4-phenyl-1,2,4-butanetrione79023-53-3ST509746641-(3,3-dimethyl-1-methylene(2-2,3,4-trihydroisoquinolyl))-4-phenylbutane-1,2,4 -trione1-(3,3-Dimethyl-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)-4-phenylbutane-1,2,4-trione
Database identifiers
- CAS
79023-53-3- PubChem CID
- 4652255
- DTXSID
DTXSID901124490
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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