2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenoxy]ethanol dihydrochloride

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenoxy]ethanol dihydrochloride Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-fluoro-phenoxy]ethanol dihydrochloride CAS Name: 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-fluorophenoxy]ethanol dihydrochloride IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluorophenoxy]ethanol dihydrochloride Traditional Name: 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-fluoro-phenoxy]ethanol dihydrochloride Formula: C23H28Cl2FN3O2 MolecularWeight: 468.391723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCO)F.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCO)F.Cl.Cl

InChI

InChI=1S/C23H26FN3O2.2ClH/c1-2-26-9-11-27(12-10-26)23-19-6-4-3-5-17(19)16-21(25-23)18-7-8-22(20(24)15-18)29-14-13-28;;/h3-8,15-16,28H,2,9-14H2,1H3;2*1H