3-[[4-[(E)-2-(3-chloranylthiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: 3-[[4-[(E)-2-(3-chloranylthiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[4-[(E)-2-(3-chloro-2-thienyl)vinyl]-1-piperidyl]methyl]-1H-pyrazin-2-one CAS Name: 3-[[4-[(E)-2-(3-chloro-2-thiophenyl)ethenyl]-1-piperidinyl]methyl]-1H-pyrazin-2-one IUPAC Name: 3-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Traditional Name: 3-[[4-[(E)-2-(3-chloro-2-thienyl)vinyl]piperidino]methyl]-1H-pyrazin-2-one Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C=CC2=C(C=CS2)Cl)CC3=NC=CNC3=O

Isomeric SMILES

C1CN(CCC1/C=C/C2=C(C=CS2)Cl)CC3=NC=CNC3=O

InChI

InChI=1S/C16H18ClN3OS/c17-13-5-10-22-15(13)2-1-12-3-8-20(9-4-12)11-14-16(21)19-7-6-18-14/h1-2,5-7,10,12H,3-4,8-9,11H2,(H,19,21)/b2-1+