1-[3-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]prop-1-ynyl]isoquinoline

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC(=C2)F)OCC#CC3=NC=CC4=CC=CC=C43

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC(=C2)F)OCC#CC3=NC=CC4=CC=CC=C43

InChI

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