1-(4-ethylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethynyl]isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethynyl]isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethynyl]isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[2-(4-methoxyphenyl)ethynyl]isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethynyl]isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[2-(4-methoxyphenyl)ethynyl]isoquinoline dihydrochloride Formula: C24H27Cl2N3O MolecularWeight: 444.39668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=CC=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C24H25N3O.2ClH/c1-3-26-14-16-27(17-15-26)24-23-7-5-4-6-20(23)18-21(25-24)11-8-19-9-12-22(28-2)13-10-19;;/h4-7,9-10,12-13,18H,3,14-17H2,1-2H3;2*1H