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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)N2CCCC(C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N2CCC[C@@H](C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c1-17(19-8-3-2-4-9-19)23(28)25-13-5-7-18(15-25)16-26-22(27)12-11-20(24-26)21-10-6-14-29-21/h2-4,6,8-12,14,17-18H,5,7,13,15-16H2,1H3/t17?,18-/m0/s1