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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(COC3=CC=CC=C3CN4CCNC(=O)C4)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(COC3=CC=CC=C3CN4CCNC(=O)C4)O

InChI

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