4-phenyl-3-piperidin-4-yl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]isoindol-1-one

Systemtic Name: 4-phenyl-3-piperidin-4-yl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]isoindol-1-one Openeye Name: 4-phenyl-3-(4-piperidyl)-5-[[2-(2-pyridylmethoxy)phenyl]methyl]isoindol-1-one CAS Name: 4-phenyl-3-(4-piperidinyl)-5-[[2-(2-pyridinylmethoxy)phenyl]methyl]-1-isoindolone IUPAC Name: 4-phenyl-3-piperidin-4-yl-5-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]isoindol-1-one Traditional Name: 4-phenyl-3-(4-piperidyl)-5-[2-(2-pyridylmethoxy)benzyl]isoindol-1-one Formula: C32H29N3O2 MolecularWeight: 487.59156

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NC(=O)C3=C2C(=C(C=C3)CC4=CC=CC=C4OCC5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CNCCC1C2=NC(=O)C3=C2C(=C(C=C3)CC4=CC=CC=C4OCC5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C32H29N3O2/c36-32-27-14-13-25(20-24-10-4-5-12-28(24)37-21-26-11-6-7-17-34-26)29(22-8-2-1-3-9-22)30(27)31(35-32)23-15-18-33-19-16-23/h1-14,17,23,33H,15-16,18-21H2