Basic information
- Standard SMILES
COC(=O)c1c(-c2ccccc2)c2cc(C#N)ccc2c(=O)n1Cc1ccccc1- InChIKey
ISRFGOOUYYDVFL-UHFFFAOYSA-N- Molecular formula
- C25H18N2O3
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.13174244
Names & identifiers
- Preferred name
- 2-benzyl-6-cyano-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
- IUPAC
- methyl 2-benzyl-6-cyano-1-oxo-4-phenylisoquinoline-3-carboxylate
Names & synonyms
SCHEMBL4712689ISRFGOOUYYDVFL-UHFFFAOYSA-N2-benzyl-6-cyano-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 69156992
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 737
Related reactions
2 records
Compound notes
Loading…