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

Systemtic Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinolin-3-yl]hexan-1-one Openeye Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolyl]hexan-1-one CAS Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinyl]-1-hexanone IUPAC Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinolin-3-yl]hexan-1-one Traditional Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolyl]hexan-1-one Formula: C26H30BrNO5 MolecularWeight: 516.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C2=CC(=C(C=C2N=C1CBr)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCC(=O)C1=C(C2=CC(=C(C=C2N=C1CBr)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H30BrNO5/c1-6-7-8-9-20(29)26-19(15-27)28-18-14-24(33-5)23(32-4)13-17(18)25(26)16-10-11-21(30-2)22(12-16)31-3/h10-14H,6-9,15H2,1-5H3