3-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-1H-pyridazin-6-one CAS Name: 3-[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-methylphenyl]-1H-pyridazin-6-one IUPAC Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[3-[4-(4-fluorophenyl)piperazino]sulfonyl-4-methyl-phenyl]-1H-pyridazin-6-one Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3S/c1-15-2-3-16(19-8-9-21(27)24-23-19)14-20(15)30(28,29)26-12-10-25(11-13-26)18-6-4-17(22)5-7-18/h2-9,14H,10-13H2,1H3,(H,24,27)