1-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]piperidino]-2-phenoxy-ethanone Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C28H35N3O3/c32-27(21-34-26-8-2-1-3-9-26)30-18-13-25(14-19-30)29-15-11-23(12-16-29)28(33)31-17-10-22-6-4-5-7-24(22)20-31/h1-9,23,25H,10-21H2