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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrNO5/c1-14(2)9-19(28)25-18(13-26)27-17-12-23(32-6)22(31-5)11-16(17)24(25)15-7-8-20(29-3)21(10-15)30-4/h7-8,10-12,14H,9,13H2,1-6H3