3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-(2-fluorophenyl)-6-methyl-4-pyridazinone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one Traditional Name: 1-(2-fluorophenyl)-6-methyl-3-(4-piperonylpiperazine-1-carbonyl)pyridazin-4-one Formula: C24H23FN4O4 MolecularWeight: 450.462223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23FN4O4/c1-16-12-20(30)23(26-29(16)19-5-3-2-4-18(19)25)24(31)28-10-8-27(9-11-28)14-17-6-7-21-22(13-17)33-15-32-21/h2-7,12-13H,8-11,14-15H2,1H3