3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[[5-(3-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)C(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC(=CC=C3)F)C(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C20H19FN4O2S/c21-15-3-1-2-14(12-15)18-6-4-16(28-18)13-24-8-10-25(11-9-24)20(27)17-5-7-19(26)23-22-17/h1-7,12H,8-11,13H2,(H,23,26)