3-[[1-[3-(4-bromophenyl)propyl]piperidin-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one

Systemtic Name: 3-[[1-[3-(4-bromophenyl)propyl]piperidin-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one Openeye Name: 3-[[1-[3-(4-bromophenyl)propyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 3-[[1-[3-(4-bromophenyl)propyl]-3-piperidinyl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one IUPAC Name: 3-[[1-[3-(4-bromophenyl)propyl]piperidin-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one Traditional Name: 3-[[1-[3-(4-bromophenyl)propyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C25H31BrN2O3 MolecularWeight: 487.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCCC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCCC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C25H31BrN2O3/c1-30-23-14-20-21(15-24(23)31-2)25(29)27-22(20)13-18-6-4-12-28(16-18)11-3-5-17-7-9-19(26)10-8-17/h7-10,14-15,18,22H,3-6,11-13,16H2,1-2H3,(H,27,29)