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

Systemtic Name: 2-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[[1-(3-cyclopentylpropanoyl)-4-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[[1-(3-cyclopentyl-1-oxopropyl)-4-piperidinyl]methyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[[1-(3-cyclopentylpropanoyl)-4-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCC(CC2)CN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCC(CC2)CN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H29N3O2S/c26-21(9-7-17-4-1-2-5-17)24-13-11-18(12-14-24)16-25-22(27)10-8-19(23-25)20-6-3-15-28-20/h3,6,8,10,15,17-18H,1-2,4-5,7,9,11-14,16H2