2-[4-[3-(4-methoxyphenyl)isoquinolin-1-yl]piperazin-1-yl]ethanamide

Systemtic Name: 2-[4-[3-(4-methoxyphenyl)isoquinolin-1-yl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[3-(4-methoxyphenyl)-1-isoquinolyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[3-(4-methoxyphenyl)-1-isoquinolinyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-[3-(4-methoxyphenyl)isoquinolin-1-yl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[3-(4-methoxyphenyl)-1-isoquinolyl]piperazino]acetamide Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC(=O)N

InChI

InChI=1S/C22H24N4O2/c1-28-18-8-6-16(7-9-18)20-14-17-4-2-3-5-19(17)22(24-20)26-12-10-25(11-13-26)15-21(23)27/h2-9,14H,10-13,15H2,1H3,(H2,23,27)