1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(6-methoxyquinolin-4-yl)methyl]azepan-2-amine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(6-methoxyquinolin-4-yl)methyl]azepan-2-amine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(6-methoxy-4-quinolyl)methyl]azepan-2-amine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(6-methoxy-4-quinolinyl)methyl]-2-azepanamine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(6-methoxyquinolin-4-yl)methyl]azepan-2-amine Traditional Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azepan-2-yl]-[(6-methoxy-4-quinolyl)methyl]amine Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CNC3CCCCCN3CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CNC3CCCCCN3CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H31N3O3/c1-30-21-7-8-23-22(16-21)20(10-11-27-23)17-28-26-5-3-2-4-12-29(26)18-19-6-9-24-25(15-19)32-14-13-31-24/h6-11,15-16,26,28H,2-5,12-14,17-18H2,1H3