2-(2,5-dimethylphenyl)-6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-1,4-dihydropyridazin-3-one

Systemtic Name: 2-(2,5-dimethylphenyl)-6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-1,4-dihydropyridazin-3-one Openeye Name: 2-(2,5-dimethylphenyl)-6-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one CAS Name: 2-(2,5-dimethylphenyl)-6-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1,4-dihydropyridazin-3-one IUPAC Name: 2-(2,5-dimethylphenyl)-6-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one Traditional Name: 2-(2,5-dimethylphenyl)-6-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CC=C(N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CC=C(N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C23H25FN4O4S/c1-16-6-7-17(2)21(14-16)28-22(29)9-8-20(25-28)23(30)26-10-12-27(13-11-26)33(31,32)19-5-3-4-18(24)15-19/h3-8,14-15,25H,9-13H2,1-2H3