6-(4-ethoxyphenyl)-2-[2-[4-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[4-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-[4-(5-fluoro-2-methoxy-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[4-(5-fluoro-2-methoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(5-fluoro-2-methoxy-phenyl)sulfonylpiperazino]ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C25H29FN4O5S MolecularWeight: 516.584963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C25H29FN4O5S/c1-3-35-21-7-4-19(5-8-21)22-9-11-25(31)30(27-22)17-14-28-12-15-29(16-13-28)36(32,33)24-18-20(26)6-10-23(24)34-2/h4-11,18H,3,12-17H2,1-2H3