N-(1,3-benzodioxol-5-ylmethyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-piperonyl-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C22H22N4O3S/c27-22(23-13-15-3-5-18-19(12-15)29-14-28-18)16-7-9-26(10-8-16)21-6-4-17(24-25-21)20-2-1-11-30-20/h1-6,11-12,16H,7-10,13-14H2,(H,23,27)