1-(4-ethylpiperazin-1-yl)-3-[4-(2-fluoranylethoxy)phenyl]isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-fluoranylethoxy)phenyl]isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-fluoroethoxy)phenyl]isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(2-fluoroethoxy)phenyl]isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-fluoroethoxy)phenyl]isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[4-(2-fluoroethoxy)phenyl]isoquinoline dihydrochloride Formula: C23H28Cl2FN3O MolecularWeight: 452.392323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O.2ClH/c1-2-26-12-14-27(15-13-26)23-21-6-4-3-5-19(21)17-22(25-23)18-7-9-20(10-8-18)28-16-11-24;;/h3-10,17H,2,11-16H2,1H3;2*1H