4-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-2-one

Systemtic Name: 4-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-2-one Openeye Name: 4-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]methyl]piperazin-2-one CAS Name: 4-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]-2-piperazinone IUPAC Name: 4-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-2-one Traditional Name: 4-[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzyl]piperazin-2-one Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(COC3=CC=CC(=C3)CN4CCNC(=O)C4)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C[C@H](COC3=CC=CC(=C3)CN4CCNC(=O)C4)O

InChI

InChI=1S/C23H29N3O3/c27-21(15-25-10-8-19-5-1-2-6-20(19)14-25)17-29-22-7-3-4-18(12-22)13-26-11-9-24-23(28)16-26/h1-7,12,21,27H,8-11,13-17H2,(H,24,28)/t21-/m1/s1