1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-3-methoxy-propan-2-ol dihydrochloride

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-3-methoxy-propan-2-ol dihydrochloride Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]-3-methoxy-propan-2-ol dihydrochloride CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]-3-methoxy-2-propanol dihydrochloride IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-3-methoxypropan-2-ol dihydrochloride Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]-3-methoxy-propan-2-ol dihydrochloride Formula: C25H33Cl2N3O3 MolecularWeight: 494.45382

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCC(COC)O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCC(COC)O.Cl.Cl

InChI

InChI=1S/C25H31N3O3.2ClH/c1-3-27-12-14-28(15-13-27)25-23-7-5-4-6-20(23)16-24(26-25)19-8-10-22(11-9-19)31-18-21(29)17-30-2;;/h4-11,16,21,29H,3,12-15,17-18H2,1-2H3;2*1H