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

Systemtic Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinolin-3-yl]ethanone Openeye Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolyl]ethanone CAS Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinyl]ethanone IUPAC Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinolin-3-yl]ethanone Traditional Name: 1-[2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolyl]ethanone Formula: C22H22BrNO5 MolecularWeight: 460.31778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO5/c1-12(25)21-16(11-23)24-15-10-20(29-5)19(28-4)9-14(15)22(21)13-6-7-17(26-2)18(8-13)27-3/h6-10H,11H2,1-5H3