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

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-(6-morpholinopyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-[6-(4-morpholinyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-1-(6-morpholinopyridazin-3-yl)isonipecotamide Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H29N5O2S/c1-30-19-4-2-17(3-5-19)16-23-22(28)18-8-10-26(11-9-18)20-6-7-21(25-24-20)27-12-14-29-15-13-27/h2-7,18H,8-16H2,1H3,(H,23,28)