N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-yl-phenoxy]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-yl-phenoxy]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-yl-phenoxy]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(2-pyrimidinyl)phenoxy]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-ylphenoxy]acetamide Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(2-pyrimidyl)phenoxy]-N-piperonyl-acetamide Formula: C30H28N4O4 MolecularWeight: 508.56772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(C=CC(=C3)C4=NC=CC=N4)OCC(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(C=CC(=C3)C4=NC=CC=N4)OCC(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H28N4O4/c35-29(33-16-21-6-8-27-28(14-21)38-20-37-27)19-36-26-9-7-23(30-31-11-3-12-32-30)15-25(26)18-34-13-10-22-4-1-2-5-24(22)17-34/h1-9,11-12,14-15H,10,13,16-20H2,(H,33,35)