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

Systemtic Name: 4-[[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-2-one Openeye Name: 4-[[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]methyl]piperazin-2-one CAS Name: 4-[[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]-2-piperazinone IUPAC Name: 4-[[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-2-one Traditional Name: 4-[4-[(2S)-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=C(C=C3)CN4CCNC(=O)C4)O

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c27-21(15-25-11-9-19-3-1-2-4-20(19)14-25)17-29-22-7-5-18(6-8-22)13-26-12-10-24-23(28)16-26/h1-8,21,27H,9-17H2,(H,24,28)/t21-/m0/s1