2-[1-[4-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]phenyl]piperidin-4-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]phenyl]piperidin-4-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[4-[[2-(4-pyridylmethoxy)phenyl]methyl]phenyl]-4-piperidyl]isoindolin-1-one CAS Name: 2-[1-[4-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]phenyl]-4-piperidinyl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]phenyl]piperidin-4-yl]-3H-isoindol-1-one Traditional Name: 2-[1-[4-[2-(4-pyridylmethoxy)benzyl]phenyl]-4-piperidyl]isoindolin-1-one Formula: C32H31N3O2 MolecularWeight: 489.60744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)CC5=CC=CC=C5OCC6=CC=NC=C6

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3C2=O)C4=CC=C(C=C4)CC5=CC=CC=C5OCC6=CC=NC=C6

InChI

InChI=1S/C32H31N3O2/c36-32-30-7-3-1-6-27(30)22-35(32)29-15-19-34(20-16-29)28-11-9-24(10-12-28)21-26-5-2-4-8-31(26)37-23-25-13-17-33-18-14-25/h1-14,17-18,29H,15-16,19-23H2