1-(4-ethylpiperazin-1-yl)-8-fluoranyl-3-(4-methoxyphenyl)isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-8-fluoranyl-3-(4-methoxyphenyl)isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-8-fluoro-3-(4-methoxyphenyl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-8-fluoro-3-(4-methoxyphenyl)isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-8-fluoro-3-(4-methoxyphenyl)isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-8-fluoro-3-(4-methoxyphenyl)isoquinoline dihydrochloride Formula: C22H26Cl2FN3O MolecularWeight: 438.365743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C(=CC(=N2)C4=CC=C(C=C4)OC)C=CC=C3F.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C3C(=CC(=N2)C4=CC=C(C=C4)OC)C=CC=C3F.Cl.Cl

InChI

InChI=1S/C22H24FN3O.2ClH/c1-3-25-11-13-26(14-12-25)22-21-17(5-4-6-19(21)23)15-20(24-22)16-7-9-18(27-2)10-8-16;;/h4-10,15H,3,11-14H2,1-2H3;2*1H