6-(furan-2-yl)-2-[[1-(2-thiophen-3-ylethanoyl)piperidin-4-yl]methyl]pyridazin-3-one

Systemtic Name: 6-(furan-2-yl)-2-[[1-(2-thiophen-3-ylethanoyl)piperidin-4-yl]methyl]pyridazin-3-one Openeye Name: 6-(2-furyl)-2-[[1-[2-(3-thienyl)acetyl]-4-piperidyl]methyl]pyridazin-3-one CAS Name: 6-(2-furanyl)-2-[[1-[1-oxo-2-(3-thiophenyl)ethyl]-4-piperidinyl]methyl]-3-pyridazinone IUPAC Name: 6-(furan-2-yl)-2-[[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]methyl]pyridazin-3-one Traditional Name: 6-(2-furyl)-2-[[1-[2-(3-thienyl)acetyl]-4-piperidyl]methyl]pyridazin-3-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=CO3)C(=O)CC4=CSC=C4

Isomeric SMILES

C1CN(CCC1CN2C(=O)C=CC(=N2)C3=CC=CO3)C(=O)CC4=CSC=C4

InChI

InChI=1S/C20H21N3O3S/c24-19-4-3-17(18-2-1-10-26-18)21-23(19)13-15-5-8-22(9-6-15)20(25)12-16-7-11-27-14-16/h1-4,7,10-11,14-15H,5-6,8-9,12-13H2