2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]-1-(6-methoxy-4-quinolyl)ethanol CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-azepanyl]-1-(6-methoxy-4-quinolinyl)ethanol IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepan-1-yl]-1-(6-methoxy-4-quinolyl)ethanol Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCCCCC3NCC4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCCCCC3NCC4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C27H33N3O4/c1-32-20-7-8-23-22(16-20)21(10-11-28-23)24(31)18-30-12-4-2-3-5-27(30)29-17-19-6-9-25-26(15-19)34-14-13-33-25/h6-11,15-16,24,27,29,31H,2-5,12-14,17-18H2,1H3