2-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one

Systemtic Name: 2-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[[(3R)-1-(3-phenylpropanoyl)-3-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[[(3R)-1-(1-oxo-3-phenylpropyl)-3-piperidinyl]methyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[[(3R)-1-hydrocinnamoyl-3-piperidyl]methyl]-6-(2-thienyl)pyridazin-3-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CC=CC=C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCC2=CC=CC=C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c27-22(12-10-18-6-2-1-3-7-18)25-14-4-8-19(16-25)17-26-23(28)13-11-20(24-26)21-9-5-15-29-21/h1-3,5-7,9,11,13,15,19H,4,8,10,12,14,16-17H2/t19-/m1/s1