1-[5-(bromomethyl)-2-(3,4-dimethoxyphenyl)-4,6-dimethoxy-quinolin-7-yl]pentan-1-one

Systemtic Name: 1-[5-(bromomethyl)-2-(3,4-dimethoxyphenyl)-4,6-dimethoxy-quinolin-7-yl]pentan-1-one Openeye Name: 1-[5-(bromomethyl)-2-(3,4-dimethoxyphenyl)-4,6-dimethoxy-7-quinolyl]pentan-1-one CAS Name: 1-[5-(bromomethyl)-2-(3,4-dimethoxyphenyl)-4,6-dimethoxy-7-quinolinyl]-1-pentanone IUPAC Name: 1-[5-(bromomethyl)-2-(3,4-dimethoxyphenyl)-4,6-dimethoxyquinolin-7-yl]pentan-1-one Traditional Name: 1-[5-(bromomethyl)-2-(3,4-dimethoxyphenyl)-4,6-dimethoxy-7-quinolyl]pentan-1-one Formula: C25H28BrNO5 MolecularWeight: 502.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC2=C(C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)OC)C(=C1OC)CBr

Isomeric SMILES

CCCCC(=O)C1=CC2=C(C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)OC)C(=C1OC)CBr

InChI

InChI=1S/C25H28BrNO5/c1-6-7-8-20(28)16-12-19-24(17(14-26)25(16)32-5)23(31-4)13-18(27-19)15-9-10-21(29-2)22(11-15)30-3/h9-13H,6-8,14H2,1-5H3