2-[[1-(2-fluorophenyl)carbonylpiperidin-4-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one

Systemtic Name: 2-[[1-(2-fluorophenyl)carbonylpiperidin-4-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[[1-(2-fluorobenzoyl)-4-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[[1-[(2-fluorophenyl)-oxomethyl]-4-piperidinyl]methyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[[1-(2-fluorobenzoyl)-4-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=CS3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=CS3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O2S/c22-17-5-2-1-4-16(17)21(27)24-11-9-15(10-12-24)14-25-20(26)8-7-18(23-25)19-6-3-13-28-19/h1-8,13,15H,9-12,14H2