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

Systemtic Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-pyridazin-4-one Openeye Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(3-thienylmethyl)piperazine-1-carbonyl]pyridazin-4-one CAS Name: 1-(2-fluorophenyl)-6-methyl-3-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-4-pyridazinone IUPAC Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]pyridazin-4-one Traditional Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(3-thenyl)piperazine-1-carbonyl]pyridazin-4-one Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O2S/c1-15-12-19(27)20(23-26(15)18-5-3-2-4-17(18)22)21(28)25-9-7-24(8-10-25)13-16-6-11-29-14-16/h2-6,11-12,14H,7-10,13H2,1H3