1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-oxidanylpiperidin-1-yl)ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-oxidanylpiperidin-1-yl)ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(3-hydroxy-1-piperidyl)ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-hydroxy-1-piperidinyl)ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-hydroxypiperidin-1-yl)ethanone Traditional Name: 1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(3-hydroxypiperidino)ethanone Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CN3CCCC(C3)O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CN3CCCC(C3)O)C4=CC=CS4)OC

InChI

InChI=1S/C22H27N3O4S/c1-28-19-8-7-15(11-20(19)29-2)18-12-17(21-6-4-10-30-21)23-25(18)22(27)14-24-9-3-5-16(26)13-24/h4,6-8,10-11,16,18,26H,3,5,9,12-14H2,1-2H3