1-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol

Systemtic Name: 1-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 1-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 1-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 1-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-(4-fluorophenyl)-1-[4-[2-(4-piperonylpiperazino)ethoxy]benzyl]-3,4-dihydro-1H-isoquinolin-6-ol Formula: C36H38FN3O4 MolecularWeight: 595.703023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7=CC=C(C=C7)F

Isomeric SMILES

C1CN(C(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7=CC=C(C=C7)F

InChI

InChI=1S/C36H38FN3O4/c37-29-4-6-30(7-5-29)40-14-13-28-23-31(41)8-11-33(28)34(40)21-26-1-9-32(10-2-26)42-20-19-38-15-17-39(18-16-38)24-27-3-12-35-36(22-27)44-25-43-35/h1-12,22-23,34,41H,13-21,24-25H2