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

Systemtic Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[3-(1,3-benzoxazol-2-yl)piperidino]-1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CC(CN(C1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C25H24N4O2S2/c30-24(29-20(23-10-5-13-33-23)14-19(27-29)22-9-4-12-32-22)16-28-11-3-6-17(15-28)25-26-18-7-1-2-8-21(18)31-25/h1-2,4-5,7-10,12-13,17,20H,3,6,11,14-16H2