2-methyl-3-[3-[2-(phenylmethyl)phenoxy]propyl]-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 2-methyl-3-[3-[2-(phenylmethyl)phenoxy]propyl]-3-piperidin-4-yl-isoindol-1-one Openeye Name: 3-[3-(2-benzylphenoxy)propyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one CAS Name: 2-methyl-3-[3-[2-(phenylmethyl)phenoxy]propyl]-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 3-[3-(2-benzylphenoxy)propyl]-2-methyl-3-piperidin-4-ylisoindol-1-one Traditional Name: 3-[3-(2-benzylphenoxy)propyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one Formula: C30H34N2O2 MolecularWeight: 454.60316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCCOC3=CC=CC=C3CC4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCCOC3=CC=CC=C3CC4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C30H34N2O2/c1-32-29(33)26-13-6-7-14-27(26)30(32,25-16-19-31-20-17-25)18-9-21-34-28-15-8-5-12-24(28)22-23-10-3-2-4-11-23/h2-8,10-15,25,31H,9,16-22H2,1H3