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

Systemtic Name: 4-phenyl-3-piperidin-4-yl-5-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]isoindol-1-one Openeye Name: 4-phenyl-3-(4-piperidyl)-5-[[2-(4-pyridylmethoxy)phenyl]methyl]isoindol-1-one CAS Name: 4-phenyl-3-(4-piperidinyl)-5-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]-1-isoindolone IUPAC Name: 4-phenyl-3-piperidin-4-yl-5-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]isoindol-1-one Traditional Name: 4-phenyl-3-(4-piperidyl)-5-[2-(4-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=NC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CNCCC1C2=NC(=O)C3=C2C(=C(C=C3)CC4=CC=CC=C4OCC5=CC=NC=C5)C6=CC=CC=C6

InChI

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