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

Systemtic Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Openeye Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one CAS Name: 3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]-1-(2-fluorophenyl)-6-methyl-4-pyridazinone IUPAC Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one Traditional Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54

InChI

InChI=1S/C25H23FN4O2S/c1-17-14-22(31)24(27-30(17)21-8-4-3-7-20(21)26)25(32)29-12-10-28(11-13-29)15-18-16-33-23-9-5-2-6-19(18)23/h2-9,14,16H,10-13,15H2,1H3