Basic information
- Standard SMILES
O=C(N1CCc2cc(OCc3ccccc3)ccc2C1c1ccc(OCCN2CCCC2)cc1)C(F)(F)F- InChIKey
RCKRKWKYGYMMNM-UHFFFAOYSA-N- Molecular formula
- C30H31F3N2O3
- Average molar mass
- 524.6 g/mol
Names & identifiers
- Preferred name
- 1-{6-Benzyloxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}-2,2,2-trifluoroethanone
- IUPAC
- 2,2,2-trifluoro-1-[6-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Names & synonyms
1-{6-Benzyloxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}-2,2,2-trifluoroethanoneSCHEMBL67186421-{6-benzyloxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2yl}-2,2,2-trifluoroethanone
Database identifiers
- PubChem CID
- 18172385
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 746
Related reactions
3 records
Compound notes
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