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

Systemtic Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-[4-(2-pyridyl)piperazino]ethanone Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CN3CCN(CC3)C4=CC=CC=N4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)CN3CCN(CC3)C4=CC=CC=N4)C5=CC=CS5)OC

InChI

InChI=1S/C26H29N5O3S/c1-33-22-9-8-19(16-23(22)34-2)21-17-20(24-6-5-15-35-24)28-31(21)26(32)18-29-11-13-30(14-12-29)25-7-3-4-10-27-25/h3-10,15-16,21H,11-14,17-18H2,1-2H3/t21-/m1/s1