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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > 3-[4-(3,4-dihydro-2h-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 3-[4-(3,4-dihydro-2h-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 3-[4-(3,4-dihydro-2h-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 3-[4-(3,4-dihydro-2h-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile

Preferred term

3-[4-(3,4-dihydro-2h-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C16H21N3O4S

inchi

  • InChI=1S/C16H21N3O4S/c17-5-1-6-18-7-9-19(10-8-18)24(20,21)14-3-4-15-16(13-14)23-12-2-11-22-15/h3-4,13H,1-2,6-12H2

inchikey

  • DWICNPFMJASQND-UHFFFAOYSA-N

mass

  • 351.422

monoisotopicmass

  • 351.12528

smiles

  • C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N)OC1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104178

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