2-[2-(4-fluoranylphenoxy)ethyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one

Systemtic Name: 2-[2-(4-fluoranylphenoxy)ethyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 2-[2-(4-fluorophenoxy)ethyl]-6-[4-methyl-3-(1-piperidylsulfonyl)phenyl]pyridazin-3-one CAS Name: 2-[2-(4-fluorophenoxy)ethyl]-6-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[2-(4-fluorophenoxy)ethyl]-6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-fluorophenoxy)ethyl]-6-(4-methyl-3-piperidinosulfonyl-phenyl)pyridazin-3-one Formula: C24H26FN3O4S MolecularWeight: 471.544343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCOC3=CC=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCOC3=CC=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H26FN3O4S/c1-18-5-6-19(17-23(18)33(30,31)27-13-3-2-4-14-27)22-11-12-24(29)28(26-22)15-16-32-21-9-7-20(25)8-10-21/h5-12,17H,2-4,13-16H2,1H3