Basic information
- CAS
54183-96-9- Standard SMILES
CNCC(=O)Nc1ccc(C2NC(=O)C(C)(C)c3ccccc32)cc1.O=C(O)/C=C/C(=O)O- InChIKey
ZGCWMVFDNWEYDX-WLHGVMLRSA-N- Molecular formula
- C24H27N3O6
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.18998559
Names & identifiers
- Preferred name
- Acetamide, 2-(methylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide
Names & synonyms
54183-96-9Acetamide, 2-(methylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, (Z)-2-butenedioate (1:1)RefChem:1075267
Database identifiers
- CAS
54183-96-9- PubChem CID
- 6446005
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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