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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzhydrylpiperazino)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H35N3O3/c1-35-27-19-25-13-14-33(21-26(25)20-28(27)36-2)29(34)22-31-15-17-32(18-16-31)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,19-20,30H,13-18,21-22H2,1-2H3