2-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-1-piperidyl]-1-(6-methoxy-4-quinolyl)ethanol CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-1-piperidinyl]-1-(6-methoxy-4-quinolinyl)ethanol IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Traditional Name: 1-(6-methoxy-4-quinolyl)-2-[4-(piperonylamino)piperidino]ethanol Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NCC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NCC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H29N3O4/c1-30-19-3-4-22-21(13-19)20(6-9-26-22)23(29)15-28-10-7-18(8-11-28)27-14-17-2-5-24-25(12-17)32-16-31-24/h2-6,9,12-13,18,23,27,29H,7-8,10-11,14-16H2,1H3