1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-styryl]piperazin-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-2-phenylethenyl]-1-piperazinyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-2-phenylethenyl]piperazin-1-yl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-styryl]piperazino]ethanone Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)C=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C25H31N3O3/c1-30-23-16-21-9-11-28(18-22(21)17-24(23)31-2)25(29)19-27-14-12-26(13-15-27)10-8-20-6-4-3-5-7-20/h3-8,10,16-17H,9,11-15,18-19H2,1-2H3/b10-8+