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

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenyl]ethyl ethanoate Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-fluoro-phenyl]ethyl acetate CAS Name: acetic acid 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-fluorophenyl]ethyl ester IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluorophenyl]ethyl acetate Traditional Name: acetic acid 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-fluoro-phenyl]ethyl ester Formula: C25H28FN3O2 MolecularWeight: 421.507123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)CCOC(=O)C)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)CCOC(=O)C)F

InChI

InChI=1S/C25H28FN3O2/c1-3-28-11-13-29(14-12-28)25-22-7-5-4-6-20(22)17-24(27-25)21-9-8-19(23(26)16-21)10-15-31-18(2)30/h4-9,16-17H,3,10-15H2,1-2H3