5,6-dimethoxy-2-[[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindol-1-one

Systemtic Name: 5,6-dimethoxy-2-[[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[[1-[2-(p-tolyl)ethyl]-3-piperidyl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[[1-[2-(4-methylphenyl)ethyl]-3-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[[1-[2-(p-tolyl)ethyl]-3-piperidyl]methyl]isoindolin-1-one Formula: C25H32N2O3 MolecularWeight: 408.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C25H32N2O3/c1-18-6-8-19(9-7-18)10-12-26-11-4-5-20(15-26)16-27-17-21-13-23(29-2)24(30-3)14-22(21)25(27)28/h6-9,13-14,20H,4-5,10-12,15-17H2,1-3H3