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

Systemtic Name: 4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methyl]-3,3-dimethyl-piperazin-2-one Openeye Name: 4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]methyl]-3,3-dimethyl-piperazin-2-one CAS Name: 4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]-3,3-dimethyl-2-piperazinone IUPAC Name: 4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]-3,3-dimethylpiperazin-2-one Traditional Name: 4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzyl]-3,3-dimethyl-piperazin-2-one Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1CC2=CC=C(C=C2)OCC(CN3CCC4=CC=CC=C4C3)O)C

Isomeric SMILES

CC1(C(=O)NCCN1CC2=CC=C(C=C2)OCC(CN3CCC4=CC=CC=C4C3)O)C

InChI

InChI=1S/C25H33N3O3/c1-25(2)24(30)26-12-14-28(25)15-19-7-9-23(10-8-19)31-18-22(29)17-27-13-11-20-5-3-4-6-21(20)16-27/h3-10,22,29H,11-18H2,1-2H3,(H,26,30)