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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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