3-(1,3-benzodioxol-5-ylcarbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-6-ethoxy-1-[(4-fluorophenyl)methyl]-4-quinolinone IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4-one Traditional Name: 6-ethoxy-1-(4-fluorobenzyl)-3-piperonyloyl-4-quinolone Formula: C26H20FNO5 MolecularWeight: 445.439103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C26H20FNO5/c1-2-31-19-8-9-22-20(12-19)26(30)21(14-28(22)13-16-3-6-18(27)7-4-16)25(29)17-5-10-23-24(11-17)33-15-32-23/h3-12,14H,2,13,15H2,1H3