ethyl 3-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanoate

Systemtic Name: ethyl 3-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanoate Openeye Name: ethyl 3-[3-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]propanoate CAS Name: 3-[3-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanoate Traditional Name: 3-[3-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]propionic acid ethyl ester Formula: C26H31N3O2 MolecularWeight: 417.54324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=CC=C4)CCC(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=CC=C4)CCC(=O)OCC

InChI

InChI=1S/C26H31N3O2/c1-3-28-14-16-29(17-15-28)26-23-11-6-5-9-21(23)19-24(27-26)22-10-7-8-20(18-22)12-13-25(30)31-4-2/h5-11,18-19H,3-4,12-17H2,1-2H3