1-(4-ethylpiperazin-1-yl)-6-methoxy-3-[4-(trifluoromethyl)phenyl]isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-[4-(trifluoromethyl)phenyl]isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-[4-(trifluoromethyl)phenyl]isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-6-methoxy-3-[4-(trifluoromethyl)phenyl]isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-[4-(trifluoromethyl)phenyl]isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-6-methoxy-3-[4-(trifluoromethyl)phenyl]isoquinoline dihydrochloride Formula: C23H26Cl2F3N3O MolecularWeight: 488.37325

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C=CC(=CC3=CC(=N2)C4=CC=C(C=C4)C(F)(F)F)OC.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C3C=CC(=CC3=CC(=N2)C4=CC=C(C=C4)C(F)(F)F)OC.Cl.Cl

InChI

InChI=1S/C23H24F3N3O.2ClH/c1-3-28-10-12-29(13-11-28)22-20-9-8-19(30-2)14-17(20)15-21(27-22)16-4-6-18(7-5-16)23(24,25)26;;/h4-9,14-15H,3,10-13H2,1-2H3;2*1H