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

Systemtic Name: 1-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]piperidino]-2-(2-thienyl)ethanone Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C26H33N3O2S/c30-25(18-24-6-3-17-32-24)28-15-10-23(11-16-28)27-12-8-21(9-13-27)26(31)29-14-7-20-4-1-2-5-22(20)19-29/h1-6,17,21,23H,7-16,18-19H2