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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-1-[(3-fluorophenyl)methyl]-6-methyl-quinolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-1-[(3-fluorophenyl)methyl]-6-methyl-quinolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-4-quinolinone IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-1-[(3-fluorophenyl)methyl]-6-methylquinolin-4-one Traditional Name: 1-(3-fluorobenzyl)-6-methyl-3-piperonyloyl-4-quinolone Formula: C25H18FNO4 MolecularWeight: 415.413123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C25H18FNO4/c1-15-5-7-21-19(9-15)25(29)20(13-27(21)12-16-3-2-4-18(26)10-16)24(28)17-6-8-22-23(11-17)31-14-30-22/h2-11,13H,12,14H2,1H3