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

Systemtic Name: 1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-N-(3,4-dimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(3,4-dimethoxyphenyl)isonipecotamide Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O3S/c1-29-17-5-3-15(13-18(17)30-2)24-22(28)14-9-11-27(12-10-14)21-8-4-16(25-26-21)19-6-7-20(23)31-19/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)