2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1-(7-methoxyisoquinolin-1-yl)ethanol

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1-(7-methoxyisoquinolin-1-yl)ethanol Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-piperidyl]-1-(7-methoxy-1-isoquinolyl)ethanol CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-piperidinyl]-1-(7-methoxy-1-isoquinolinyl)ethanol IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1-(7-methoxyisoquinolin-1-yl)ethanol Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidino]-1-(7-methoxy-1-isoquinolyl)ethanol Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2C(CN3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2C(CN3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C26H31N3O4/c1-31-21-4-3-19-6-9-27-26(22(19)15-21)23(30)17-29-10-7-20(8-11-29)28-16-18-2-5-24-25(14-18)33-13-12-32-24/h2-6,9,14-15,20,23,28,30H,7-8,10-13,16-17H2,1H3