3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-[2-(2,4-dimethoxyphenyl)ethynyl]-1-(4-ethylpiperazino)isoquinoline Formula: C25H27N3O2 MolecularWeight: 401.50078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c1-4-27-13-15-28(16-14-27)25-23-8-6-5-7-20(23)17-21(26-25)11-9-19-10-12-22(29-2)18-24(19)30-3/h5-8,10,12,17-18H,4,13-16H2,1-3H3