N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide Traditional Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-piperonyl-isonipecotamide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

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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=C(S5)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NN=C(C=C4)C5=CC=C(S5)Br

InChI

InChI=1S/C22H21BrN4O3S/c23-20-5-4-19(31-20)16-2-6-21(26-25-16)27-9-7-15(8-10-27)22(28)24-12-14-1-3-17-18(11-14)30-13-29-17/h1-6,11,15H,7-10,12-13H2,(H,24,28)