2-[4-[1-(4-ethylpiperazin-1-yl)-8-fluoranyl-isoquinolin-3-yl]phenoxy]ethyl ethanoate

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-8-fluoranyl-isoquinolin-3-yl]phenoxy]ethyl ethanoate Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-8-fluoro-3-isoquinolyl]phenoxy]ethyl acetate CAS Name: acetic acid 2-[4-[1-(4-ethyl-1-piperazinyl)-8-fluoro-3-isoquinolinyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-8-fluoroisoquinolin-3-yl]phenoxy]ethyl acetate Traditional Name: acetic acid 2-[4-[1-(4-ethylpiperazino)-8-fluoro-3-isoquinolyl]phenoxy]ethyl ester Formula: C25H28FN3O3 MolecularWeight: 437.506523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C(=CC(=N2)C4=CC=C(C=C4)OCCOC(=O)C)C=CC=C3F

Isomeric SMILES

CCN1CCN(CC1)C2=C3C(=CC(=N2)C4=CC=C(C=C4)OCCOC(=O)C)C=CC=C3F

InChI

InChI=1S/C25H28FN3O3/c1-3-28-11-13-29(14-12-28)25-24-20(5-4-6-22(24)26)17-23(27-25)19-7-9-21(10-8-19)32-16-15-31-18(2)30/h4-10,17H,3,11-16H2,1-2H3