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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCCOC3=CC=CC=C3CCC4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCCOC3=CC=CC=C3CCC4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C31H36N2O2/c1-33-30(34)27-13-6-7-14-28(27)31(33,26-18-21-32-22-19-26)20-9-23-35-29-15-8-5-12-25(29)17-16-24-10-3-2-4-11-24/h2-8,10-15,26,32H,9,16-23H2,1H3