Basic information
- Standard SMILES
O=C1c2cccc3cccc(c23)C(=O)N1CN1CCc2ccccc2C1- InChIKey
ZLHNNVAQNWAKKT-UHFFFAOYSA-N- Molecular formula
- C22H18N2O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.13682782
Names & identifiers
- Preferred name
- (3,4-dihydro-2(1H)-isoquinolinylmethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
- IUPAC
- 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzo[de]isoquinoline-1,3-dione
Names & synonyms
SCHEMBL11836715ZLHNNVAQNWAKKT-UHFFFAOYSA-N(3,4-dihydro-2(1H)-isoquinolinylmethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
Database identifiers
- PubChem CID
- 21551797
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
1 records
Compound notes
Loading…