3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione Traditional Name: 2-(4-fluorophenyl)-3-homoveratryl-10-methyl-pyrimido[4,5-b]quinoline-4,5-quinone Formula: C28H24FN3O4 MolecularWeight: 485.506263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H24FN3O4/c1-31-21-7-5-4-6-20(21)25(33)24-27(31)30-26(18-9-11-19(29)12-10-18)32(28(24)34)15-14-17-8-13-22(35-2)23(16-17)36-3/h4-13,16H,14-15H2,1-3H3