N-[1-(phenylmethyl)piperidin-4-yl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C26H31N5OS MolecularWeight: 461.62224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C26H31N5OS/c32-26(27-22-12-14-30(15-13-22)19-20-5-2-1-3-6-20)21-10-16-31(17-11-21)25-9-8-23(28-29-25)24-7-4-18-33-24/h1-9,18,21-22H,10-17,19H2,(H,27,32)