1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[4-(phenylcarbonyl)piperidin-1-yl]ethanone

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[4-(phenylcarbonyl)piperidin-1-yl]ethanone Openeye Name: 2-(4-benzoyl-1-piperidyl)-1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperidinyl)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(4-benzoylpiperidin-1-yl)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(4-benzoylpiperidino)-1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C25H25N3O2S2/c29-24(17-27-12-10-19(11-13-27)25(30)18-6-2-1-3-7-18)28-21(23-9-5-15-32-23)16-20(26-28)22-8-4-14-31-22/h1-9,14-15,19,21H,10-13,16-17H2