6-(3-fluoranyl-4-methoxy-phenyl)-2-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]pyridazin-3-one

Systemtic Name: 6-(3-fluoranyl-4-methoxy-phenyl)-2-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]pyridazin-3-one Openeye Name: 6-(3-fluoro-4-methoxy-phenyl)-2-[1-[2-(2-thienyl)acetyl]-4-piperidyl]pyridazin-3-one CAS Name: 6-(3-fluoro-4-methoxyphenyl)-2-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-3-pyridazinone IUPAC Name: 6-(3-fluoro-4-methoxyphenyl)-2-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyridazin-3-one Traditional Name: 6-(3-fluoro-4-methoxy-phenyl)-2-[1-[2-(2-thienyl)acetyl]-4-piperidyl]pyridazin-3-one Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)C3CCN(CC3)C(=O)CC4=CC=CS4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)C3CCN(CC3)C(=O)CC4=CC=CS4)F

InChI

InChI=1S/C22H22FN3O3S/c1-29-20-6-4-15(13-18(20)23)19-5-7-21(27)26(24-19)16-8-10-25(11-9-16)22(28)14-17-3-2-12-30-17/h2-7,12-13,16H,8-11,14H2,1H3