2-[[1-[3-(2-phenethylphenoxy)propyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

Systemtic Name: 2-[[1-[3-(2-phenethylphenoxy)propyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-[3-(2-phenethylphenoxy)propyl]-4-piperidyl]methyl]isoindolin-1-one CAS Name: 2-[[1-[3-(2-phenethylphenoxy)propyl]-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-[[1-[3-(2-phenethylphenoxy)propyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[1-[3-(2-phenethylphenoxy)propyl]-4-piperidyl]methyl]isoindolin-1-one Formula: C31H36N2O2 MolecularWeight: 468.62974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCCOC4=CC=CC=C4CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCCOC4=CC=CC=C4CCC5=CC=CC=C5

InChI

InChI=1S/C31H36N2O2/c34-31-29-13-6-4-12-28(29)24-33(31)23-26-17-20-32(21-18-26)19-8-22-35-30-14-7-5-11-27(30)16-15-25-9-2-1-3-10-25/h1-7,9-14,26H,8,15-24H2