N-[(4-methylsulfanylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-[6-(1-piperidyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-1-(6-piperidinopyridazin-3-yl)isonipecotamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H31N5OS/c1-30-20-7-5-18(6-8-20)17-24-23(29)19-11-15-28(16-12-19)22-10-9-21(25-26-22)27-13-3-2-4-14-27/h5-10,19H,2-4,11-17H2,1H3,(H,24,29)