6-[3-[4-(2-methyl-3-phenyl-phenyl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one

Systemtic Name: 6-[3-[4-(2-methyl-3-phenyl-phenyl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one Openeye Name: 6-[3-[4-(2-methyl-3-phenyl-phenyl)piperazin-1-yl]propoxy]isoindolin-1-one CAS Name: 6-[3-[4-(2-methyl-3-phenylphenyl)-1-piperazinyl]propoxy]-2,3-dihydroisoindol-1-one IUPAC Name: 6-[3-[4-(2-methyl-3-phenylphenyl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one Traditional Name: 6-[3-[4-(2-methyl-3-phenyl-phenyl)piperazino]propoxy]isoindolin-1-one Formula: C28H31N3O2 MolecularWeight: 441.56464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CCN(CC2)CCCOC3=CC4=C(CNC4=O)C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1N2CCN(CC2)CCCOC3=CC4=C(CNC4=O)C=C3)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2/c1-21-25(22-7-3-2-4-8-22)9-5-10-27(21)31-16-14-30(15-17-31)13-6-18-33-24-12-11-23-20-29-28(32)26(23)19-24/h2-5,7-12,19H,6,13-18,20H2,1H3,(H,29,32)