1-[3-[3-(5-fluoranyl-4-methoxy-oxan-2-yl)phenoxy]prop-1-ynyl]isoquinoline

Systemtic Name: 1-[3-[3-(5-fluoranyl-4-methoxy-oxan-2-yl)phenoxy]prop-1-ynyl]isoquinoline Openeye Name: 1-[3-[3-(5-fluoro-4-methoxy-tetrahydropyran-2-yl)phenoxy]prop-1-ynyl]isoquinoline CAS Name: 1-[3-[3-(5-fluoro-4-methoxy-2-oxanyl)phenoxy]prop-1-ynyl]isoquinoline IUPAC Name: 1-[3-[3-(5-fluoro-4-methoxyoxan-2-yl)phenoxy]prop-1-ynyl]isoquinoline Traditional Name: 1-[3-[3-(5-fluoro-4-methoxy-tetrahydropyran-2-yl)phenoxy]prop-1-ynyl]isoquinoline Formula: C24H22FNO3 MolecularWeight: 391.434783

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(OCC1F)C2=CC(=CC=C2)OCC#CC3=NC=CC4=CC=CC=C43

Isomeric SMILES

COC1CC(OCC1F)C2=CC(=CC=C2)OCC#CC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H22FNO3/c1-27-24-15-23(29-16-21(24)25)18-7-4-8-19(14-18)28-13-5-10-22-20-9-3-2-6-17(20)11-12-26-22/h2-4,6-9,11-12,14,21,23-24H,13,15-16H2,1H3