2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazino)ethanone Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CC(=O)N3CCN(CC3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CC(=O)N3CCN(CC3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C25H33N3O3/c1-3-30-23-16-20-10-11-26(18-21(20)17-24(23)31-4-2)19-25(29)28-14-12-27(13-15-28)22-8-6-5-7-9-22/h5-9,16-17H,3-4,10-15,18-19H2,1-2H3