2-[2-[4-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-(4-fluoro-3-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazino]ethyl]-6-phenyl-pyridazin-3-one Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C23H25FN4O3S/c1-18-17-20(7-8-21(18)24)32(30,31)27-14-11-26(12-15-27)13-16-28-23(29)10-9-22(25-28)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3