2-[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)isoquinolin-4-yl]oxyethanol dihydrochloride

Systemtic Name: 2-[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)isoquinolin-4-yl]oxyethanol dihydrochloride Openeye Name: 2-[[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)-4-isoquinolyl]oxy]ethanol dihydrochloride CAS Name: 2-[[1-(4-ethyl-1-piperazinyl)-3-(2-phenylethynyl)-4-isoquinolinyl]oxy]ethanol dihydrochloride IUPAC Name: 2-[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)isoquinolin-4-yl]oxyethanol dihydrochloride Traditional Name: 2-[[1-(4-ethylpiperazino)-3-(2-phenylethynyl)-4-isoquinolyl]oxy]ethanol dihydrochloride Formula: C25H29Cl2N3O2 MolecularWeight: 474.42266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCO)C#CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCO)C#CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H27N3O2.2ClH/c1-2-27-14-16-28(17-15-27)25-22-11-7-6-10-21(22)24(30-19-18-29)23(26-25)13-12-20-8-4-3-5-9-20;;/h3-11,29H,2,14-19H2,1H3;2*1H