2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(2-morpholinoethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(4-morpholinyl)ethyl]amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-morpholinoethyl(piperonyl)amino]ethanone Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN(CCN3CCOCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN(CCN3CCOCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O4/c29-25(28-8-7-21-3-1-2-4-22(21)17-28)18-27(10-9-26-11-13-30-14-12-26)16-20-5-6-23-24(15-20)32-19-31-23/h1-6,15H,7-14,16-19H2