(2-benzoyl-1-cyano-1H-isoquinolin-7-yl) benzoate
Basic information
- CAS
67335-02-8- Standard SMILES
N#CC1c2cc(OC(=O)c3ccccc3)ccc2C=CN1C(=O)c1ccccc1- InChIKey
JRMHNSFCGXFUSM-UHFFFAOYSA-N- Molecular formula
- C24H16N2O3
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.11609238
Names & identifiers
- Preferred name
- (2-benzoyl-1-cyano-1H-isoquinolin-7-yl) benzoate
- IUPAC
- (2-benzoyl-1-cyano-1H-isoquinolin-7-yl) benzoate
Names & synonyms
67335-02-82-benzoyl-1-cyano-1,2-dihydroisoquinolin-7-yl benzoate(2-benzoyl-1-cyano-1H-isoquinolin-7-yl) benzoateNSC159927DTXSID30303677NSC-159927
Database identifiers
- CAS
67335-02-8- PubChem CID
- 293373
- DTXSID
DTXSID30303677
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 681
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Compound notes
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