3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-6-methyl-1-phenyl-pyridazin-4-one

Systemtic Name: 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-6-methyl-1-phenyl-pyridazin-4-one Openeye Name: 3-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one CAS Name: 3-[[4-[[5-(2-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-6-methyl-1-phenyl-4-pyridazinone IUPAC Name: 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one Traditional Name: 3-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one Formula: C27H25FN4O2S MolecularWeight: 488.576403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=C(S4)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=C(S4)C5=CC=CC=C5F

InChI

InChI=1S/C27H25FN4O2S/c1-19-17-24(33)26(29-32(19)20-7-3-2-4-8-20)27(34)31-15-13-30(14-16-31)18-21-11-12-25(35-21)22-9-5-6-10-23(22)28/h2-12,17H,13-16,18H2,1H3