1-{6-Benzyloxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}-2,2,2-trifluoroethanone

HCID 18172385

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

Related reactions

3 records

Compound notes

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