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

Systemtic Name: 1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-N-[(3,4-dimethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-veratryl-isonipecotamide Formula: C23H25BrN4O3S MolecularWeight: 517.4386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br)OC

InChI

InChI=1S/C23H25BrN4O3S/c1-30-18-5-3-15(13-19(18)31-2)14-25-23(29)16-9-11-28(12-10-16)22-8-4-17(26-27-22)20-6-7-21(24)32-20/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,29)